* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    192    345     589
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02030   105.35471     0.99190
    3     1 S   H    _H1_     3     1.02107    47.12530   102.44779
    4     1 S   H    _H2_     4     1.02092    65.48723  -102.89111
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C33    36     1.86614    96.76767   161.86784
   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   _C12    37     1.56583   108.67264   160.04178
   38    37 S   HC   _H3_    38     1.10286   106.46505    27.57766
   39    33 S   CT   _C31    88     1.56813   109.65127   -78.97112
   40    39 S   HC   _H8_    89     1.09825   108.85166    41.52269
   41    33 S   OH   _O40    96     1.42076   105.02115    38.39953
   42    41 S   HO   _H23    97     0.97139   106.70024    58.45856
   43    37 S   CO4  _C11    39     1.52729   116.09680   -85.78245
   44    43 S   O    _O34    40     1.22656   122.60408     8.60674
   45    43 S   CA   _C8_    41     1.48369   116.31331  -175.09807
   46    45 S   CA   _C7_    42     1.39920   120.67534     8.23693
   47    46 S   CA   _C6_    43     1.39993   119.95198  -177.07537
   48    47 S   HA   _H13    44     1.08741   120.77516  -179.67254
   49    46 S   CO4  _C14    55     1.48493   120.74025     4.55879
   50    49 S   O    _O35    56     1.22620   119.54240  -164.26397
   51    47 S   CA   _C5_    45     1.39456   119.96204    -0.62776
   52    37 S   CT   _C13    57     1.56097   114.59535   142.76872
   53    51 S   CA   _C10    46     1.39400   120.12874    -0.00000
   54    53 S   HA   _H14    47     1.08732   120.00472  -179.88131
   55    51 S   CT   _C4_    51     1.49176   119.96843  -179.71884
   56    55 S   HC   _H10    52     1.09718   110.30556    90.01908
   57    55 S   HC   _H11    53     1.09737   111.28408  -149.54027
   58    55 S   HC   _H12    54     1.09715   111.26889   -30.42804
   59    52 S   CT   _C18    58     1.57728   117.25895    75.15080
   60    59 S   HC   _H7_    59     1.09576   113.19431    99.77183
   61    52 S   CT   _C15    84     1.57776   111.74854   -44.52823
   62    61 S   HC   _H4_    85     1.09474   113.03793  -126.38432
   63    45 S   CA   _C9_    48     1.39956   119.45618  -169.71223
   64    59 S   CO4  _C19    60     1.51611   114.30399   -25.50548
   65    64 S   O    _O36    61     1.22758   120.88332   102.87308
   66    61 S   CT   _C32    86     1.52179   116.14991     3.58954
   67    66 S   HC   _H9_    87     1.09655   110.36754   170.39092
   68    59 S   CT   _C17    92     1.52548   105.08755  -140.19345
   69    68 S   HC   _H6_    93     1.09583   113.78068   161.26958
   70    63 S   OH   _O33    49     1.36366   122.88762    -1.95625
   71    70 S   HO   _H15    50     0.96934   110.19866    -0.50668
   72    64 S   CM   _C20    62     1.53184   115.69821   -74.68620
   73    66 S   OH   _O39    90     1.40856   111.77134   -70.81473
   74    73 S   HO   _H22    91     0.97555   107.40311   -60.03605
   75    68 S   OH   _O42    94     1.41928   110.81275   -76.86301
   76    75 S   HO   _H24    95     0.97159   106.87202   -59.97153
   77    72 S   CMA  _C21    63     1.36236   119.14572  -156.97499
   78    77 S   OM   _O41    64     1.26803   126.32217     6.06640
   79    77 S   CA   _C22    65     1.51358   113.45490  -174.72107
   80    79 S   CA   _C23    66     1.39974   122.71787   -16.45623
   81    80 S   CA   _C24    67     1.40528   121.75519  -177.86558
   82    81 S   HA   _H16    68     1.08709   120.71876  -179.93147
   83    80 S   CO4  _C29    79     1.47045   119.73655     2.73895
   84    83 S   O    _O38    80     1.22912   118.92645  -161.96550
   85    81 S   CA   _C25    69     1.38994   120.17847    -0.64041
   86    72 S   CT   _C30    81     1.52513   112.42259    23.19863
   87    85 S   CA   _C26    70     1.38736   119.54448     0.00000
   88    87 S   HA   _H17    71     1.08841   120.05311  -179.43768
   89    85 S   CT   _C28    75     1.49017   120.21571  -179.71538
   90    89 S   HC   _H19    76     1.09774   110.43614    90.04683
   91    89 S   HC   _H20    77     1.09847   111.33505  -149.49798
   92    89 S   HC   _H21    78     1.09780   111.33104   -30.47562
   93    86 S   CT   _C16    82     1.58659   110.90381   -43.53019
   94    93 S   HC   _H5_    83     1.09569   114.32250  -128.47881
   95    79 S   CA   _C27    72     1.41466   120.69032   164.86046
   96    95 S   OH   _O37    73     1.36894   123.17796    -3.56645
   97    96 S   HO   _H18    74     0.96723   109.79356     1.65906
  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  11   5   4   3
  20   2   1   1  22   9  21   9   5   1  11   4  12  12  12   4
  12   3   8  16   8   3   4   2   1   1  15   8  14   7   2  11
   4   9   4   8   5   1   1  10   3   1   4   1  10   4  12  11
  12   4   6   2   8   2   8   3   4   2   1   1   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    86    66    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    49    52    59    72    83    86    93    61    66    67    39    40    73    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    63    49    50    52    59    60    64    86    93    61    62    66    39    40    68    41    42  
   43    44    45    49    52    59    61    39    41  
   40    73    74    68    41    42    43    52    61    62    64    66    67    72    77    80    83    84    86    93    94  
   73    41    61    66    67    72    83    86    93  
   42    43    52    66    86  
    0  
   44    45    46    47    53    63    70    49    52    59    61  
   45    46    63    52  
   46    47    48    51    53    54    63    70    71    49    50    52  
   47    48    51    53    63    70    55    49    50    52    59    61  
   48    51    53    54    63    55    56    57    58    49    50    52  
   51    53    55    49  
   50    52    59    60    64    93    61    62    66    68    51    63  
   52    59    61  
   53    54    63    70    55    56    57    58  
   59    60    64    65    72    86    93    94    61    62    66    67    73    68    69    75  
   54    63    70    71    55    56    57    58  
   63    70    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    77    86    93    94    61    62    66    68    69    75    76  
   64    65    72    93    61    68    69    75  
   62    66    67    73    74    68    69    75    64    72    83    86    93    94  
   66    67    73    68    86    93    94  
   70    71  
   65    72    77    78    79    83    86    93    68    69    75  
   72    77    86    68  
   67    73    74    68    72    83    86    93    94  
   73    74    86    93  
   69    75    76    72    83    86    93    94  
   75    76    86    93    94  
   71  
    0  
   77    78    79    80    95    83    84    86    93    94  
   74    86    93  
    0  
   76    86    93    94  
   93  
   78    79    80    81    87    95    96    83    86    93  
   79    80    95    86  
   80    81    82    85    87    88    95    96    97    83    84    86  
   81    82    85    87    95    96    89    83    84    86    93  
   82    85    87    88    95    89    90    91    92    83    84    86  
   85    87    89    83  
   84    86    93    94    85    95  
   86    93  
   87    88    95    96    89    90    91    92  
   93    94  
   88    95    96    97    89    90    91    92  
   95    96    89  
   90    91    92    95  
   91    92  
   92  
    0  
   94  
    0  
   96    97  
   97  
    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   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    52   268.000  1.529
   43    44   570.000  1.229
   43    45   310.000  1.470
   45    46   469.000  1.400
   45    63   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   317.000  1.510
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    70   450.000  1.364
   70    71   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    59   268.000  1.529
   52    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    68   268.000  1.529
   64    65   570.000  1.229
   64    72   320.000  1.462
   72    77   465.000  1.376
   72    86   317.000  1.510
   77    78   745.000  1.250
   77    79   320.000  1.460
   79    80   469.000  1.400
   79    95   469.000  1.400
   80    81   469.000  1.400
   80    83   310.000  1.470
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    87   469.000  1.400
   85    89   317.000  1.510
   87    88   367.000  1.080
   87    95   469.000  1.400
   95    96   450.000  1.364
   96    97   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    93   268.000  1.529
   86    39   268.000  1.529
   93    94   340.000  1.090
   93    61   268.000  1.529
   93    68   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   66    73   320.000  1.410
   39    40   340.000  1.090
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    75   320.000  1.410
   75    76   553.000  0.945
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    52    58.35000  112.70000
   33    39    86    58.35000  112.70000
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    41    42    55.00000  108.50000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  115.47100
   37    52    49    63.00000  111.10000
   37    52    59    58.35000  112.70000
   37    52    61    58.35000  112.70000
   43    37    38    35.00000  109.50000
   43    45    46    60.00000  119.52600
   43    45    63    60.00000  119.52600
   45    43    44    75.00000  123.78400
   45    46    47    63.00000  120.00000
   45    46    49    60.00000  119.52600
   45    63    53    63.00000  120.00000
   45    63    70    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    52    65.00000  115.47100
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    63    63.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   53    63    70    70.00000  120.00000
   63    45    46    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    71    35.00000  113.00000
   55    51    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    46    47    60.00000  119.52600
   49    52    59    63.00000  111.10000
   49    52    61    63.00000  111.10000
   52    37    38    37.50000  110.70000
   52    37    43    63.00000  111.10000
   52    49    50    80.00000  120.40000
   52    59    60    37.50000  110.70000
   52    59    64    63.00000  111.10000
   52    59    68    58.35000  112.70000
   52    61    93    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   59    64    65    80.00000  120.40000
   59    64    72    65.00000  118.62400
   59    68    93    58.35000  112.70000
   59    68    69    37.50000  110.70000
   59    68    75    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    72    77    60.00000  125.92000
   64    72    86    65.00000  116.34900
   72    64    65    80.00000  123.72100
   72    77    78    65.00000  137.10300
   72    77    79    60.00000  123.20500
   72    86    83    70.00000  109.06800
   72    86    93    70.00000  112.02700
   72    86    39    70.00000  112.02700
   77    79    80    60.00000  120.93500
   77    79    95    60.00000  120.93500
   79    77    78    85.00000  114.86500
   79    80    81    63.00000  120.00000
   79    80    83    60.00000  119.52600
   79    95    87    63.00000  120.00000
   79    95    96    70.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    75.00000  123.78400
   80    83    86    65.00000  115.47100
   81    85    87    63.00000  120.00000
   81    85    89    70.00000  120.00000
   85    81    82    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    95    63.00000  120.00000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   87    95    96    70.00000  120.00000
   95    79    80    63.00000  120.00000
   95    87    88    35.00000  120.00000
   95    96    97    35.00000  113.00000
   89    85    87    70.00000  120.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    80    81    60.00000  119.52600
   83    86    93    63.00000  111.10000
   83    86    39    63.00000  111.10000
   86    72    77    70.00000  124.00000
   86    83    84    80.00000  120.40000
   86    93    94    37.50000  110.70000
   86    93    61    58.35000  112.70000
   86    93    68    58.35000  112.70000
   86    39    66    58.35000  112.70000
   86    39    40    37.50000  110.70000
   93    61    62    37.50000  110.70000
   93    61    66    58.35000  112.70000
   93    68    69    37.50000  110.70000
   93    68    75    50.00000  109.50000
   61    52    59    58.35000  112.70000
   61    93    94    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    39    58.35000  112.70000
   61    66    73    50.00000  109.50000
   66    61    62    37.50000  110.70000
   66    39    40    37.50000  110.70000
   66    73    74    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    86    93    58.35000  112.70000
   39    66    67    37.50000  110.70000
   73    66    67    35.00000  109.50000
   73    66    39    50.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    64    63.00000  111.10000
   68    93    94    37.50000  110.70000
   68    93    61    58.35000  112.70000
   68    75    76    55.00000  108.50000
   75    68    69    35.00000  109.50000
   41    33    37    50.00000  109.50000
   41    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    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    37    52   0.44750  1.0 1.0
   29    33    37    52  -0.17800 -1.0 2.0
   29    33    37    52   0.20200  1.0 3.0
   29    33    39    86   0.44750  1.0 1.0
   29    33    39    86  -0.17800 -1.0 2.0
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   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33   -37    52   0.56750  1.0 1.0
   39    33   -37    52  -0.07550 -1.0 2.0
   39    33   -37    52   0.20000  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    86    93    94   0.15000  1.0 3.0
   39    86   -93    61   0.56750  1.0 1.0
   39    86   -93    61  -0.07550 -1.0 2.0
   39    86   -93    61   0.20000  1.0 3.0
   39    86    93    68   0.56750  1.0 1.0
   39    86    93    68  -0.07550 -1.0 2.0
   39    86    93    68   0.20000  1.0 3.0
   39    66    73    74  -0.11600  1.0 1.0
   39    66    73    74  -0.09450 -1.0 2.0
   39    66    73    74   0.21250  1.0 3.0
   73    66    39    33   0.86500  1.0 1.0
   73    66    39    33  -0.17500 -1.0 2.0
   73    66    39    33   0.20800  1.0 3.0
   73    66    39    86   0.86500  1.0 1.0
   73    66    39    86  -0.17500 -1.0 2.0
   73    66    39    86   0.20800  1.0 3.0
   73    66    39    40   0.23400  1.0 3.0
   68    59    64    65   0.30150 -1.0 2.0
   68    59   -64    72   0.65300  1.0 1.0
   68    59   -64    72  -0.03850 -1.0 2.0
   68    59   -64    72   0.33900  1.0 3.0
   68    93   -61    52   0.56750  1.0 1.0
   68    93   -61    52  -0.07550 -1.0 2.0
   68    93   -61    52   0.20000  1.0 3.0
   68    93    61    62   0.15000  1.0 3.0
   68    93    61    66   0.56750  1.0 1.0
   68    93    61    66  -0.07550 -1.0 2.0
   68    93    61    66   0.20000  1.0 3.0
   69    68    75    76   0.19450  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    37    52   0.86500  1.0 1.0
   41    33    37    52  -0.17500 -1.0 2.0
   41    33    37    52   0.20800  1.0 3.0
   41    33    39    86   0.86500  1.0 1.0
   41    33    39    86  -0.17500 -1.0 2.0
   41    33    39    86   0.20800  1.0 3.0
   41    33    39    66   0.86500  1.0 1.0
   41    33    39    66  -0.17500 -1.0 2.0
   41    33    39    66   0.20800  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   46    63    45    43   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   63    54    53    51   1.10000 -1.0 2.0
   53    70    63    45   4.00000 -1.0 2.0
   46    52    49    50  10.50000 -1.0 2.0
   59    72    64    65  10.50000 -1.0 2.0
   64    86    72    77   1.10000 -1.0 2.0
   79    78    77    72   1.10000 -1.0 2.0
   80    95    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   87    89    85    81   4.00000 -1.0 2.0
   95    88    87    85   1.10000 -1.0 2.0
   87    96    95    79   4.00000 -1.0 2.0
   80    86    83    84  10.50000 -1.0 2.0
END
