* LIGAND DATABASE FILE (OPLS2005)
*
001      97    98    173    266     508
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    97.04755    27.40779
    3     1 S   H    _H1_     3     1.02109    34.93288   140.21248
    4     1 S   H    _H2_     4     1.02100    82.32966   -80.61126
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C16    36     1.83544    97.72935   161.81910
   34    33 S   HC   _H5_    37     1.09732   106.48733    34.78521
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C15    38     1.51233   107.74849   -79.95314
   39    38 S   HC   _H24    39     1.08821   113.99940    85.14798
   40    33 S   CT   _C17    71     1.53596   110.11981   152.54047
   41    40 S   HC   _H25    72     1.09790   110.48894    62.74419
   42    40 S   HC   _H26    73     1.09759   111.98980   -55.14176
   43    38 S   CM   _C14    40     1.34472   126.81352   -95.77870
   44    43 S   HC   _H23    41     1.08804   118.12801     1.33603
   45    40 S   CO4  _C18    74     1.51813   112.93063  -177.49861
   46    45 S   O    _O33    75     1.22888   122.39912    28.23391
   47    43 S   CM   _C12    42     1.46555   126.73644  -179.58035
   48    45 S   CM   _C19    76     1.48249   117.48348  -151.79893
   49    47 S   CM   _C11    43     1.35028   118.47511  -179.97202
   50    49 S   HC   _H19    44     1.09101   118.15597    -1.00425
   51    47 S   CT   _C13    67     1.50685   117.68921     0.84116
   52    51 S   HC   _H20    68     1.09674   110.55099    89.92622
   53    51 S   HC   _H21    69     1.09588   110.46099   -30.42460
   54    51 S   HC   _H22    70     1.09107   113.67391  -151.14780
   55    48 S   CMA  _C20    77     1.48436   123.78514   119.99324
   56    55 S   OM   _O36    78     1.26374   111.78965    -0.87447
   57    49 S   CT   _C9_    45     1.51622   128.24204   178.80810
   58    57 S   HC   _H4_    46     1.09215   110.11966     0.00000
   59    55 S   CM   _C21    79     1.36026   118.93689   179.36975
   60    57 S   CT   _C10    47     1.53266   109.07305  -116.76732
   61    60 S   HC   _H16    48     1.09391   111.23525   -61.03583
   62    60 S   HC   _H17    49     1.09620   111.49606    59.53517
   63    60 S   HC   _H18    50     1.09627   110.99270   179.79826
   64    57 S   CT   _C8_    51     1.54339   109.05978   120.02613
   65    64 S   HC   _H14    52     1.09735   108.16630    59.95144
   66    64 S   HC   _H15    53     1.09937   108.98627   175.02437
   67    59 S   CA   _C24    80     1.47766   121.62335   179.88465
   68    59 S   CM   _C22    92     1.48202   121.22740     0.44499
   69    68 S   HC   _H27    93     1.10050   118.05557   179.81977
   70    64 S   CT   _C6_    54     1.54448   115.66063   -62.50720
   71    70 S   HC   _H3_    55     1.09660   108.49030    40.53011
   72    67 S   CA   _C25    81     1.39504   119.99444   -89.41950
   73    72 S   HA   _H29    82     1.08746   120.86667    -0.02798
   74    68 S   N    _N4_    94     1.27751   124.35736    -0.11535
   75    74 S   H    _H28    95     1.02062   122.02839   179.85735
   76    70 S   CT   _C7_    56     1.53105   112.22194   -77.98818
   77    76 S   HC   _H11    57     1.09431   111.06206   -60.86002
   78    76 S   HC   _H12    58     1.09505   111.64146    59.51096
   79    76 S   HC   _H13    59     1.09566   110.86409  -179.84934
   80    70 S   CT   _C5_    60     1.54450   111.04515   156.46612
   81    80 S   HC   _H9_    61     1.09770   108.98770  -174.97173
   82    80 S   HC   _H10    62     1.09780   108.81715   -59.69835
   83    72 S   CA   _C26    83     1.39453   119.97713   179.93744
   84    83 S   HA   _H30    84     1.08690   119.64426  -180.00000
   85    48 S   C    _C23    96     1.48517   116.90238   -60.05983
   86    85 S   O    _O34    97     1.21768   127.17125     0.40445
   87    80 S   CT   _C4_    63     1.52224   115.60958    62.49254
   88    87 S   HC   _H6_    64     1.09511   109.72403   -57.28165
   89    87 S   HC   _H7_    65     1.09374   111.64239    61.86886
   90    87 S   HC   _H8_    66     1.09374   111.66761  -176.26561
   91    83 S   CA   _C27    85     1.39490   120.02159     0.02798
   92    91 S   CA   _C28    86     1.39504   120.00127    -0.02798
   93    92 S   HA   _H31    87     1.08645   120.30964  -179.94405
   94    91 S   OH   _O35    90     1.36136   119.97870   180.00000
   95    94 S   HO   _H33    91     0.97074   110.25712   180.00000
   96    67 S   CA   _C29    88     1.39559   120.00500    90.48644
   97    96 S   HA   _H32    89     1.08708   120.81893     0.07913
  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
  12   7   2   1   1  10   4   8   4   3   9   3   8   3  10   9
  15   5   4   2   1   1  10   4  12   8  12   7   3   2   1  12
   5   4  12   7   3  12   8   8   4   3   2   7   3   2   1   6
   5   4   7   3   1   1   3   2   1   1   6   5   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    55    85    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    57    51    52    53    54  
   47    49    51  
   46    48    55    56    59    74    85    86  
   48    55    85  
   49    50    57    58    60    64    51    52    53    54  
   55    56    59    67    68    74    75    85    86  
   50    57    58    60    61    62    63    64    65    66    70    51    52    53    54  
   57    58    60    64    51  
   52    53    54    57  
   53    54  
   54  
    0  
   56    59    67    72    96    68    69    74    85    86  
   59    67    68    85  
   58    60    61    62    63    64    65    66    70    71    76    80  
   60    61    62    63    64    65    66    70  
   67    72    73    83    92    96    97    68    69    74    75    85  
   61    62    63    64    65    66    70  
   62    63    64  
   63    64  
   64  
   65    66    70    71    76    77    78    79    80    81    82    87  
   66    70    71    76    80  
   70    71    76    80  
   72    73    83    84    91    92    93    96    97    68    69    74  
   69    74    75    85    86    72    96  
   74    75    85  
   71    76    77    78    79    80    81    82    87    88    89    90  
   76    77    78    79    80    81    82    87  
   73    83    84    91    92    96    97    94  
   83    84    91    96  
   75    85    86  
   85    86  
   77    78    79    80    81    82    87  
   78    79    80  
   79    80  
   80  
   81    82    87    88    89    90  
   82    87    88    89    90  
   87    88    89    90  
   84    91    92    93    96    94    95  
   91    92    94  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
   92    93    96    97    94    95  
   93    96    97    94    95  
   96    97    94  
   95    96  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   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   3.5500   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   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    49   549.000  1.340
   47    51   317.000  1.510
   49    50   340.000  1.080
   49    57   317.000  1.510
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   320.000  1.462
   48    55   465.000  1.376
   48    85   410.000  1.444
   55    56   745.000  1.250
   55    59   465.000  1.376
   59    67   320.000  1.460
   59    68   549.000  1.340
   67    72   469.000  1.400
   67    96   469.000  1.400
   72    73   367.000  1.080
   72    83   469.000  1.400
   83    84   367.000  1.080
   83    91   469.000  1.400
   91    92   469.000  1.400
   91    94   450.000  1.364
   92    93   367.000  1.080
   92    96   469.000  1.400
   96    97   367.000  1.080
   94    95   553.000  0.945
   68    69   340.000  1.080
   68    74   400.000  1.384
   74    75   434.000  1.010
   74    85   490.000  1.335
   85    86   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    49    70.00000  123.01800
   43    47    51    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    57    70.00000  124.00000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    60    70.00000  112.02700
   49    57    64    70.00000  112.02700
   57    49    50    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    70    58.35000  112.70000
   60    57    58    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    60    58.35000  112.70000
   64    70    71    37.50000  110.70000
   64    70    76    58.35000  112.70000
   64    70    80    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    87    58.35000  112.70000
   76    70    71    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    70    71    37.50000  110.70000
   80    70    76    58.35000  112.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   51    47    49    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    65.00000  118.62400
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    55    60.00000  125.92000
   45    48    85    55.00000  123.68000
   48    45    46    80.00000  123.72100
   48    55    56    65.00000  137.10300
   48    55    59    70.00000  123.01800
   48    85    74    80.00000  111.56200
   48    85    86    80.00000  125.30000
   55    59    67    60.00000  123.66000
   55    59    68    70.00000  117.34000
   59    55    56    65.00000  137.10300
   59    67    72    60.00000  118.70000
   59    67    96    60.00000  118.70000
   59    68    69    35.00000  120.00000
   59    68    74    75.00000  120.83300
   67    72    73    35.00000  120.00000
   67    72    83    63.00000  120.00000
   67    96    92    63.00000  120.00000
   67    96    97    35.00000  120.00000
   72    83    84    35.00000  120.00000
   72    83    91    63.00000  120.00000
   83    72    73    35.00000  120.00000
   83    91    92    63.00000  120.00000
   83    91    94    70.00000  120.00000
   91    83    84    35.00000  120.00000
   91    92    93    35.00000  120.00000
   91    92    96    63.00000  120.00000
   91    94    95    35.00000  113.00000
   92    96    97    35.00000  120.00000
   96    67    72    63.00000  120.00000
   96    92    93    35.00000  120.00000
   94    91    92    70.00000  120.00000
   68    59    67    60.00000  123.66000
   68    74    75    45.00000  117.55000
   68    74    85    70.00000  120.89900
   74    68    69    45.00000  111.09300
   74    85    86    80.00000  122.90000
   85    48    55    60.00000  120.04000
   85    74    75    35.00000  119.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.65300  1.0 1.0
   33    40    45    48  -0.03850 -1.0 2.0
   33    40    45    48   0.33900  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    49   0.28850  1.0 1.0
   38    43    47    49   2.61350 -1.0 2.0
   38    43    47    49   0.78400  1.0 3.0
   38    43    47    51  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   7.00000 -1.0 2.0
   43    47    49    57   7.00000 -1.0 2.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    53   0.00000  1.0 1.0
   43    47    51    54   0.00000  1.0 1.0
   44    43    47    49  -0.18600  1.0 3.0
   44    43    47    51   0.00000  1.0 1.0
   47    49    57    58   0.00000  1.0 1.0
   47    49    57    60   0.09850  1.0 1.0
   47    49    57    60   0.15250 -1.0 2.0
   47    49    57    60  -0.50650  1.0 3.0
   47    49    57    64   0.09850  1.0 1.0
   47    49    57    64   0.15250 -1.0 2.0
   47    49    57    64  -0.50650  1.0 3.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    53   0.00000  1.0 1.0
   49    47    51    54   0.00000  1.0 1.0
   49    57    60    61   0.15000  1.0 3.0
   49    57    60    62   0.15000  1.0 3.0
   49    57    60    63   0.15000  1.0 3.0
   49    57    64    65   0.15000  1.0 3.0
   49    57    64    66   0.15000  1.0 3.0
   49    57    64    70   0.34400  1.0 1.0
   49    57    64    70   0.09450 -1.0 2.0
   49    57    64    70   0.11100  1.0 3.0
   50    49    57    58   0.33100  1.0 3.0
   50    49    57    60   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   57    64    70    71   0.15000  1.0 3.0
   57    64    70    76   0.56750  1.0 1.0
   57    64    70    76  -0.07550 -1.0 2.0
   57    64    70    76   0.20000  1.0 3.0
   57    64    70    80   0.56750  1.0 1.0
   57    64    70    80  -0.07550 -1.0 2.0
   57    64    70    80   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    70   0.15000  1.0 3.0
   60    57    64    65   0.15000  1.0 3.0
   60    57    64    66   0.15000  1.0 3.0
   60    57    64    70   0.56750  1.0 1.0
   60    57    64    70  -0.07550 -1.0 2.0
   60    57    64    70   0.20000  1.0 3.0
   64    57    60    61   0.15000  1.0 3.0
   64    57    60    62   0.15000  1.0 3.0
   64    57    60    63   0.15000  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    79   0.15000  1.0 3.0
   64    70    80    81   0.15000  1.0 3.0
   64    70    80    82   0.15000  1.0 3.0
   64    70    80    87   0.56750  1.0 1.0
   64    70    80    87  -0.07550 -1.0 2.0
   64    70    80    87   0.20000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   65    64    70    80   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   66    64    70    80   0.15000  1.0 3.0
   70    80    87    88   0.15000  1.0 3.0
   70    80    87    89   0.15000  1.0 3.0
   70    80    87    90   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   71    70    80    81   0.15000  1.0 3.0
   71    70    80    82   0.15000  1.0 3.0
   71    70    80    87   0.15000  1.0 3.0
   76    70    80    81   0.15000  1.0 3.0
   76    70    80    82   0.15000  1.0 3.0
   76    70    80    87   0.56750  1.0 1.0
   76    70    80    87  -0.07550 -1.0 2.0
   76    70    80    87   0.20000  1.0 3.0
   80    70    76    77   0.15000  1.0 3.0
   80    70    76    78   0.15000  1.0 3.0
   80    70    76    79   0.15000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90   0.15000  1.0 3.0
   51    47    49    50   7.00000 -1.0 2.0
   51    47    49    57   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    55  -0.33500  1.0 1.0
   40    45    48    55   1.06600 -1.0 2.0
   40    45    48    55  -0.14000  1.0 3.0
   40    45    48    85   1.50000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56   7.00000 -1.0 2.0
   45    48    55    59   7.00000 -1.0 2.0
   45    48    85    74   1.50000 -1.0 2.0
   45    48    85    86   2.50000 -1.0 2.0
   46    45    48    55   1.00000 -1.0 2.0
   46    45    48    85   2.50000 -1.0 2.0
   48    55    59    67   7.00000 -1.0 2.0
   48    55    59    68   7.00000 -1.0 2.0
   55    48    85    74   0.49500  1.0 1.0
   55    48    85    74   1.31600 -1.0 2.0
   55    48    85    74  -0.02300  1.0 3.0
   55    48    85    86   1.00000 -1.0 2.0
   55    59    67    72   0.15800  1.0 1.0
   55    59    67    72   1.85350 -1.0 2.0
   55    59    67    72  -0.48700  1.0 3.0
   55    59    67    96   0.15800  1.0 1.0
   55    59    67    96   1.85350 -1.0 2.0
   55    59    67    96  -0.48700  1.0 3.0
   55    59    68    69   7.00000 -1.0 2.0
   55    59   -68    74   7.00000 -1.0 2.0
   56    55    59    67   7.00000 -1.0 2.0
   56    55    59    68   7.00000 -1.0 2.0
   59    67    72    73   3.62500 -1.0 2.0
   59    67    72    83   3.62500 -1.0 2.0
   59    67    96    92   3.62500 -1.0 2.0
   59    67    96    97   3.62500 -1.0 2.0
   59    68    74    75   0.78350 -1.0 2.0
   59    68    74    85  -0.18900  1.0 1.0
   59    68    74    85   1.70900 -1.0 2.0
   67    59    68    69   7.00000 -1.0 2.0
   67    59    68    74   7.00000 -1.0 2.0
   67    72    83    84   3.62500 -1.0 2.0
   67    72    83    91   3.62500 -1.0 2.0
   72    67    96    92   3.62500 -1.0 2.0
   72    67    96    97   3.62500 -1.0 2.0
   72    83   -91    92   3.62500 -1.0 2.0
   72    83    91    94   3.62500 -1.0 2.0
   73    72    83    84   3.62500 -1.0 2.0
   73    72    83    91   3.62500 -1.0 2.0
   83    91    92    93   3.62500 -1.0 2.0
   83    91    92    96   3.62500 -1.0 2.0
   83    91    94    95   0.84100 -1.0 2.0
   84    83    91    92   3.62500 -1.0 2.0
   84    83    91    94   3.62500 -1.0 2.0
   91    92   -96    67   3.62500 -1.0 2.0
   91    92    96    97   3.62500 -1.0 2.0
   92    91    94    95   0.84100 -1.0 2.0
   93    92    96    67   3.62500 -1.0 2.0
   93    92    96    97   3.62500 -1.0 2.0
   96    67    72    73   3.62500 -1.0 2.0
   96    67   -72    83   3.62500 -1.0 2.0
   94    91    92    93   3.62500 -1.0 2.0
   94    91    92    96   3.62500 -1.0 2.0
   68    59    67    72   0.15800  1.0 1.0
   68    59    67    72   1.85350 -1.0 2.0
   68    59    67    72  -0.48700  1.0 3.0
   68    59    67    96   0.15800  1.0 1.0
   68    59    67    96   1.85350 -1.0 2.0
   68    59    67    96  -0.48700  1.0 3.0
   68    74   -85    48   2.45000 -1.0 2.0
   68    74    85    86   2.67200 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    85   1.44600  1.0 1.0
   75    74    85    48   2.56700 -1.0 2.0
   75    74    85    86   2.45000 -1.0 2.0
   85    48    55    56   7.00000 -1.0 2.0
   85    48   -55    59   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    51    47    49  15.00000 -1.0 2.0
   57    50    49    47  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   45    85    48    55   1.10000 -1.0 2.0
   59    56    55    48   1.10000 -1.0 2.0
   55    67    59    68   1.10000 -1.0 2.0
   72    96    67    59   4.00000 -1.0 2.0
   83    73    72    67   1.10000 -1.0 2.0
   91    84    83    72   1.10000 -1.0 2.0
   92    94    91    83   4.00000 -1.0 2.0
   96    93    92    91   1.10000 -1.0 2.0
   92    97    96    67   1.10000 -1.0 2.0
   74    69    68    59   1.10000 -1.0 2.0
   75    85    74    68   1.00000 -1.0 2.0
   48    74    85    86  10.50000 -1.0 2.0
END
