* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    191    315     581
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02118    95.05155   -60.21156
    3     1 S   H    _H1_     3     1.02072    85.01935    48.19449
    4     1 S   H    _H2_     4     1.02108    33.78862  -176.71556
    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   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C11    36     1.87831    96.34195   161.84730
   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   CM   _C12    37     1.52773   103.83303    40.00047
   38    37 S   HC   _H16    38     1.08680   118.93345   -85.49264
   39    33 S   CT   _C10    52     1.54198   104.88051   -77.87462
   40    39 S   F    F1__    53     1.36534   109.89693    60.81718
   41    39 S   HC   _H6_    54     1.09685   110.87328   -56.61776
   42    37 S   CM   _C13    39     1.34345   121.14520    92.84004
   43    42 S   CM   _C14    40     1.44672   120.96932    -0.44367
   44    43 S   HC   _H17    41     1.08417   118.76945  -163.57695
   45    42 S   OH   _O38    97     1.37744   121.56471  -178.05841
   46    45 S   HO   _H34    98     0.96416   110.15570    -2.31900
   47    43 S   CM   _C15    42     1.34276   120.68187    17.20113
   48    47 S   HC   _H18    43     1.08714   119.01428   177.96433
   49    33 S   CT   _C16    44     1.60048   114.21677   160.75054
   50    49 S   CT   _C17    45     1.59972   109.62656   169.53757
   51    50 S   HC   _H7_    46     1.10191   105.93010    61.83155
   52    49 S   CT   _C27    93     1.54786   111.19025    45.44538
   53    52 S   HC   _H31    94     1.08212   108.79021    60.26689
   54    52 S   HC   _H32    95     1.08282   108.77929   -59.71863
   55    52 S   HC   _H33    96     1.08191   108.77632  -179.72589
   56    50 S   CT   _C8_    47     1.56028   112.94374   -52.16830
   57    56 S   HC   _H5_    48     1.09509   109.64960   -64.95911
   58    50 S   CT   _C18    67     1.56528   116.25522   176.14852
   59    58 S   HC   _H8_    68     1.09643   108.81209   -59.21445
   60    56 S   CT   _C9_    49     1.53224   110.77616    53.94330
   61    60 S   HC   _H14    50     1.09770   110.70057    67.65384
   62    60 S   HC   _H15    51     1.09686   110.32133  -176.02936
   63    56 S   CT   _C7_    55     1.53868   108.87179   174.71643
   64    63 S   HC   _H4_    56     1.10207   105.39521   -59.38882
   65    58 S   OH   _O37    69     1.42014   111.93347    58.17797
   66    65 S   HO   _H30    70     0.97110   106.85235  -174.40269
   67    63 S   CT   _C6_    57     1.52862   118.88715  -177.57255
   68    67 S   HC   _H12    58     1.09625   110.90038   -43.18112
   69    67 S   HC   _H13    59     1.09435   111.54802    76.49068
   70    67 S   CT   _C5_    60     1.55232   104.58220  -161.81510
   71    70 S   HC   _H3_    61     1.09825   107.36885   123.74805
   72    70 S   CT   _C21    62     1.55963   105.63322     6.62270
   73    70 S   CT   _C4_    89     1.52559   111.57409  -119.28483
   74    73 S   HC   _H9_    90     1.08975   109.86893    62.85964
   75    73 S   HC   _H10    91     1.08955   109.84600   -57.15104
   76    73 S   HC   _H11    92     1.08975   109.88810  -177.13508
   77    63 S   CT   _C20    63     1.54265   114.01623    59.47058
   78    72 S   CO4  _C22    75     1.50090   112.83986   146.01715
   79    78 S   O    _O33    76     1.22976   121.30767   -30.00599
   80    72 S   OH   _O36    87     1.42329   111.79595   -96.43007
   81    80 S   HO   _H26    88     0.97123   106.63234   177.59052
   82    77 S   CT   _C19    64     1.54399   107.30725   -60.69827
   83    82 S   HC   _H19    65     1.09733   110.03666   -64.80949
   84    82 S   HC   _H20    66     1.09719   109.39346   178.31553
   85    77 S   CT   _C26    71     1.55438   113.11875    61.76976
   86    85 S   HC   _H27    72     1.08030   108.45740    59.48884
   87    85 S   HC   _H28    73     1.08019   108.47914   -60.48794
   88    85 S   HC   _H29    74     1.08012   108.50157   179.47400
   89    78 S   CT   _C23    77     1.51394   116.26042   149.96754
   90    89 S   HC   _H21    78     1.09361   109.76899    60.07240
   91    89 S   HC   _H22    79     1.09298   109.04587   -60.26044
   92    89 S   OS   _O34    80     1.41268   110.63954  -179.41852
   93    92 S   CO4  _C24    81     1.37205   116.11653  -179.94766
   94    93 S   O    _O35    82     1.22359   125.72721    -0.08847
   95    93 S   CT   _C25    83     1.49816   110.22152   180.00000
   96    95 S   HC   _H23    84     1.09254   109.85827   -90.04102
   97    95 S   HC   _H24    85     1.09319   109.85704   148.04728
   98    95 S   HC   _H25    86     1.09452   109.42517    29.07731
  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  12   5   4   3
  22   2   1   1  14   5  13   6   5   7   8   4   2   1  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  14   6   5  14   8  20   6   2   1   1  12  10   5   4
   1   6   2   1   3   2   1   1   6   3   2   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    49    50    60    39    40    41    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    49    50    51    56    60    61    62    39    40    41    58    52    53    54    55    45  
   35    36  
   36  
    0  
   38    42    43    44    47    49    50    60    39    40    41    52    45    46  
   42    43    49    39    45  
   40    41    63    52    42    47    49    50    56    57    60    61    62  
   41    49    56    60    61    62  
   49    56    60    61    62  
   43    44    47    48    49    45    46  
   44    47    48    49    50    52    45    46  
   47    48    49    45  
   46    47  
    0  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    82    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    77    82    83    84    58    59    65    66    52    53    54    55  
   56    57    60    63    82    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    77    82    58    59    65    85  
   60    61    62    63    64    67    77    58  
   59    65    66    85    60    63    72    77    82    83    84  
   65    66    77    82    83    84  
   61    62    63    64    67    77  
   62    63  
   63  
   64    67    68    69    70    71    72    77    82    83    84    85    86    87    88    78    80    73  
   67    68    69    70    72    77    82    85  
   66    77    82    83    84  
   82  
   68    69    70    71    72    77    82    85    78    80    73    74    75    76  
   69    70    71    72    77    73  
   70    71    72    77    73  
   71    72    77    82    85    78    79    89    80    81    73    74    75    76  
   72    77    78    80    73    74    75    76  
   77    82    83    84    85    86    87    88    78    79    89    90    91    92    80    81    73    74    75    76  
   74    75    76    77    78    80  
   75    76  
   76  
    0  
   82    83    84    85    86    87    88    78    79    89    80    81  
   79    89    90    91    92    93    80    81    82    85  
   89    90    91    92    80  
   81    82    85    89  
    0  
   83    84    85    86    87    88  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93  
   93    94    95    96    97    98  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   41   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   380.000  1.444
   42    45   510.000  1.338
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    39   268.000  1.529
   39    40   367.000  1.332
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    77   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    73   268.000  1.529
   72    77   268.000  1.529
   72    78   317.000  1.522
   72    80   320.000  1.410
   77    82   268.000  1.529
   77    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   78    79   570.000  1.229
   78    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   320.000  1.410
   92    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   80    81   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   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  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    60    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    70.00000  123.01800
   37    42    45    80.00000  121.38400
   42    37    38    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    47    70.00000  123.01800
   42    45    46    70.00000  107.45700
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    70.00000  112.02700
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    82    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    39    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    77    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    39    40    50.00000  109.50000
   60    39    41    37.50000  110.70000
   62    60    61    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    49    58.35000  112.70000
   39    60    61    37.50000  110.70000
   39    60    62    37.50000  110.70000
   41    39    40    40.00000  107.00000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    77    72    58.35000  112.70000
   63    77    82    58.35000  112.70000
   63    77    85    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    77    58.35000  112.70000
   70    72    78    63.00000  111.10000
   70    72    80    50.00000  109.50000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   72    70    71    37.50000  110.70000
   72    77    82    58.35000  112.70000
   72    77    85    58.35000  112.70000
   72    78    79    80.00000  120.40000
   72    78    89    70.00000  116.00000
   72    80    81    55.00000  108.50000
   77    63    64    37.50000  110.70000
   77    63    67    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    58    58.35000  112.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   82    58    59    37.50000  110.70000
   82    58    65    50.00000  109.50000
   84    82    83    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    56    58.35000  112.70000
   58    82    83    37.50000  110.70000
   58    82    84    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   85    77    82    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   78    72    77    63.00000  111.10000
   78    89    90    35.00000  109.50000
   78    89    91    35.00000  109.50000
   78    89    92    90.00000  108.74100
   89    78    79    80.00000  120.40000
   89    92    93    83.00000  116.90000
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    83.00000  123.40000
   92    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   80    72    77    50.00000  109.50000
   80    72    78    90.00000  109.61100
   73    70    71    37.50000  110.70000
   73    70    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    42    43    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
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   80    72    78    89   1.25850 -1.0 2.0
   80    72    78    89  -0.23600  1.0 3.0
   73    70    72    77   0.56750  1.0 1.0
   73    70    72    77  -0.07550 -1.0 2.0
   73    70    72    77   0.20000  1.0 3.0
   73    70    72    78  -0.95700  1.0 1.0
   73    70    72    78  -0.18200 -1.0 2.0
   73    70    72    78   0.29450  1.0 3.0
   73    70    72    80   0.86500  1.0 1.0
   73    70    72    80  -0.17500 -1.0 2.0
   73    70    72    80   0.20800  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  1.0 3.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    47   0.50950  1.0 1.0
   45    42    43    47   0.56650 -1.0 2.0
   45    42    43    47   0.34050  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
   33    38    37    42   1.10000 -1.0 2.0
   43    45    42    37   1.10000 -1.0 2.0
   42    44    43    47   1.10000 -1.0 2.0
   49    48    47    43   1.10000 -1.0 2.0
   72    89    78    79  10.50000 -1.0 2.0
   92    95    93    94  10.50000 -1.0 2.0
END
