* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    167    261     488
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02109    65.37575    74.26368
    3     1 S   H    _H1_     3     1.02152    47.21628  -130.95141
    4     1 S   H    _H2_     4     1.02054   105.43254   -29.56733
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   _C27    36     1.83643    99.43543   180.00000
   34    33 S   F    F4__    37     1.37240   107.89911   -56.06397
   35    33 S   F    F5__    38     1.37117   107.90930    56.07267
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CA   _C24    39     1.49148   110.96334  -179.96574
   40    39 S   CA   _C23    40     1.39504   119.93339   -88.86210
   41    40 S   HA   _H22    41     1.08625   120.52616    -0.01978
   42    40 S   CA   _C22    42     1.39520   119.98238   179.89721
   43    42 S   HA   _H21    43     1.08695   119.16600   180.00000
   44    42 S   CA   _C21    44     1.39458   119.98950     0.09065
   45    44 S   CA   _C26    45     1.39504   120.02799    -0.08847
   46    45 S   HA   _H24    46     1.08738   120.89252  -179.95154
   47    44 S   CM   _C20    49     1.47298   120.01547   179.96044
   48    47 S   HC   _H20    50     1.08779   115.57520   161.27786
   49    39 S   CA   _C25    47     1.39458   120.03860    91.12776
   50    49 S   HA   _H23    48     1.08706   120.51954    -0.00000
   51    47 S   CM   _C19    51     1.34087   124.72814   -19.99744
   52    51 S   HC   _H19    52     1.08385   123.44888    -4.66044
   53    51 S   CHZ  _C9_    53     1.49291   119.03061   179.96574
   54    53 S   CM   _C10    54     1.49878   110.77809   119.97027
   55    54 S   HC   _H13    55     1.08572   117.31184    -0.86547
   56    53 S   NI   _N7_    72     1.29692   127.82186   -61.32469
   57    54 S   CM   _C11    56     1.34158   121.04248  -179.98022
   58    57 S   HC   _H14    57     1.08752   120.56325     0.75692
   59    56 S   NG   _N6_    73     1.34483   117.02029     1.42313
   60    59 S   H    _H12    74     1.01604   123.62857    -1.63195
   61    57 S   CA   _C12    58     1.47404   124.45043   179.51949
   62    59 S   CG   _C7_    75     1.38938   116.29236  -179.94766
   63    61 S   CA   _C13    59     1.39497   120.02336    19.95396
   64    63 S   HA   _H15    60     1.08687   120.82780     0.00000
   65    62 S   NG   _N4_    76     1.39304   119.53613    -0.03426
   66    65 S   H    _H8_    77     1.01678   118.69480     0.90027
   67    63 S   CA   _C14    61     1.39474   120.00609  -179.98022
   68    67 S   HA   _H16    62     1.08690   119.51008   179.94065
   69    65 S   CT   _C6_    78     1.47002   121.26709  -178.75715
   70    69 S   HC   _H6_    79     1.09548   106.79579   -97.29732
   71    69 S   HC   _H7_    80     1.09524   107.52966   147.44168
   72    67 S   CA   _C15    63     1.39473   119.98867     0.00000
   73    69 S   CT   _C5_    81     1.53809   112.64808    25.11055
   74    72 S   CA   _C16    64     1.39489   120.04855     0.04846
   75    74 S   HA   _H17    65     1.08687   120.52945  -180.00000
   76    72 S   CT   _C18    68     1.49138   119.97340   179.86583
   77    76 S   F    F1__    69     1.36656   113.61173     0.05595
   78    76 S   F    F2__    70     1.36677   113.58064   120.10491
   79    76 S   F    F3__    71     1.36505   112.69347  -119.93634
   80    73 S   CT   _C8_    82     1.53757   109.62187   -49.49754
   81    80 S   HC   _H10    83     1.09515   110.86097   170.03206
   82    80 S   HC   _H11    84     1.09654   111.25712   -70.37520
   83    73 S   CT   _C4_    87     1.54078   109.93099    71.39017
   84    83 S   HC   _H3_    88     1.08384   109.13763   179.98022
   85    83 S   HC   _H4_    89     1.08436   109.12840    59.97797
   86    83 S   HC   _H5_    90     1.08432   109.12780   -59.98529
   87    73 S   CT   _C28    91     1.53635   109.40641  -169.51179
   88    87 S   HC   _H25    92     1.08633   109.34666  -180.00000
   89    87 S   HC   _H26    93     1.08591   109.38871    60.02021
   90    87 S   HC   _H27    94     1.08551   109.39485   -60.03983
   91    61 S   CA   _C17    66     1.39496   119.96451  -159.97236
   92    91 S   HA   _H18    67     1.08693   120.90110    -0.06256
   93    62 S   NG   _N5_    85     1.39323   119.53654   179.34958
   94    93 S   H    _H9_    86     1.01722   118.68416    -0.79868
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3   9   6   3   7   3
   1   1   7   3   9   8   4   6   8   3   8   3   9  11   8   4
  10   5   9   3  15   5   4   8  13   7   3   4   2   1   1  12
   5   4   8   3   2   1   4   2   1   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50  
   41    42    43    44    45    49    50    47  
   42    43    44    49  
   43    44    45    46    49    47    48    51  
   44    45    47  
   45    46    49    50    47    48    51    52    53  
   46    49    50    47    48    51  
   49    50    47  
   48    51    52    53    54    56    49  
   51    52    53  
   50  
    0  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    61    56    59    60    62  
   55    57    58    61    63    91    56    59  
   57    58    61    56  
   59    60    62    65    93    57  
   58    61    63    64    67    74    91    92  
   61    63    91  
   60    62    65    66    69    80    93    94  
   62    65    93  
   63    64    67    68    72    74    75    91    92  
   65    66    69    70    71    73    80    81    82    93    94  
   64    67    68    72    74    91    92    76  
   67    68    72    91  
   66    69    70    71    73    80    93    94    83    87  
   69    70    71    73    93  
   68    72    74    75    91    76    77    78    79  
   72    74    76  
   70    71    73    80    81    82    93    83    84    85    86    87    88    89    90  
   71    73    80    83    87  
   73    80    83    87  
   74    75    91    92    76    77    78    79  
   80    81    82    93    94    83    84    85    86    87    88    89    90  
   75    91    92    76    77    78    79  
   91    92    76  
   77    78    79    91  
   78    79  
   79  
    0  
   81    82    93    94    83    84    85    86    87    88    89    90  
   82    93    94    83    87  
   93    94    83    87  
   84    85    86    87    88    89    90    93  
   85    86    87  
   86    87  
   87  
   88    89    90    93  
   89    90  
   90  
    0  
   92  
    0  
   94  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.636100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.195167   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.2500   0.0500   0.550200   2.1120   1.8750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   78   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   79   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   80   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   94   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    53   360.000  1.437
   53    54   360.000  1.437
   53    56   645.000  1.280
   54    55   340.000  1.080
   54    57   549.000  1.340
   57    58   340.000  1.080
   57    61   320.000  1.460
   61    63   469.000  1.400
   61    91   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    74   469.000  1.400
   72    76   317.000  1.510
   74    75   367.000  1.080
   74    91   469.000  1.400
   91    92   367.000  1.080
   76    77   367.000  1.332
   76    78   367.000  1.332
   76    79   367.000  1.332
   56    59   300.000  1.357
   59    60   434.000  1.010
   59    62   481.000  1.340
   62    65   481.000  1.340
   62    93   481.000  1.340
   65    66   434.000  1.010
   65    69   337.000  1.463
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    80   268.000  1.529
   73    83   268.000  1.529
   73    87   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    93   337.000  1.463
   93    94   434.000  1.010
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    45    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    60.00000  120.93500
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    40.00000  117.26300
   44    47    51    60.00000  123.20500
   45    49    50    35.00000  120.00000
   49    39    40    63.00000  120.00000
   49    45    46    35.00000  120.00000
   47    44    45    60.00000  120.93500
   47    51    52    35.00000  120.00000
   47    51    53    70.00000  117.49700
   51    47    48    35.00000  120.00000
   51    53    54    80.00000  112.14000
   51    53    56    65.00000  123.49500
   53    51    52    35.00000  118.70300
   53    54    55    35.00000  118.70300
   53    54    57    70.00000  117.49700
   53    56    59   110.00000  101.64000
   54    57    58    35.00000  120.00000
   54    57    61    60.00000  123.20500
   57    54    55    35.00000  120.00000
   57    61    63    60.00000  120.93500
   57    61    91    60.00000  120.93500
   61    57    58    40.00000  117.26300
   61    63    64    35.00000  120.00000
   61    63    67    63.00000  120.00000
   61    91    74    63.00000  120.00000
   61    91    92    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    72    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    72    74    63.00000  120.00000
   67    72    76    70.00000  120.00000
   72    67    68    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    91    63.00000  120.00000
   72    76    77    50.00000  109.50000
   72    76    78    50.00000  109.50000
   72    76    79    50.00000  109.50000
   74    91    92    35.00000  120.00000
   91    61    63    63.00000  120.00000
   91    74    75    35.00000  120.00000
   76    72    74    70.00000  120.00000
   78    76    77    77.00000  109.10000
   79    76    77    77.00000  109.10000
   79    76    78    77.00000  109.10000
   56    53    54    65.00000  123.49500
   56    59    60    50.00000  117.11400
   56    59    62    80.00000  118.28000
   59    62    65    70.00000  120.00000
   59    62    93    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    50.00000  123.20000
   62    93    80    50.00000  123.20000
   62    93    94    35.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    73    80.00000  111.20000
   69    65    66    35.00000  118.40000
   69    73    80    58.35000  112.70000
   69    73    83    58.35000  112.70000
   69    73    87    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    93    80.00000  111.20000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    86    37.50000  110.70000
   73    87    88    37.50000  110.70000
   73    87    89    37.50000  110.70000
   73    87    90    37.50000  110.70000
   80    93    94    35.00000  118.40000
   82    80    81    33.00000  107.80000
   93    62    65    70.00000  120.00000
   93    80    81    35.00000  109.50000
   93    80    82    35.00000  109.50000
   83    73    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    73    80    58.35000  112.70000
   87    73    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    45   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    45   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    47    48   0.56550  1.0 3.0
   42    44    47    51   0.15800  1.0 1.0
   42    44    47    51   1.85350 -1.0 2.0
   42    44    47    51  -0.48700  1.0 3.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -49    39   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    47    51    52   7.00000 -1.0 2.0
   44    47    51    53   7.00000 -1.0 2.0
   45    44    47    48   0.56550  1.0 3.0
   45    44    47    51   0.15800  1.0 1.0
   45    44    47    51   1.85350 -1.0 2.0
   45    44    47    51  -0.48700  1.0 3.0
   46    45    49    39   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    53    54   0.69550 -1.0 2.0
   47    51    53    56   1.09650  1.0 1.0
   47    51    53    56   0.48950 -1.0 2.0
   47    51    53    56   0.49400  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    53   7.00000 -1.0 2.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    57   0.69550 -1.0 2.0
   51    53    56    59   6.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   1.00600 -1.0 2.0
   53    54    57    58   7.00000 -1.0 2.0
   53    54    57    61   7.00000 -1.0 2.0
   53    56    59    60   2.00000 -1.0 2.0
   53    56    59    62   2.00000 -1.0 2.0
   54    53    56    59   6.00000 -1.0 2.0
   54    57    61    63   0.15800  1.0 1.0
   54    57    61    63   1.85350 -1.0 2.0
   54    57    61    63  -0.48700  1.0 3.0
   54    57    61    91   0.15800  1.0 1.0
   54    57    61    91   1.85350 -1.0 2.0
   54    57    61    91  -0.48700  1.0 3.0
   55    54    57    58   7.00000 -1.0 2.0
   55    54    57    61   7.00000 -1.0 2.0
   57    61    63    64   3.62500 -1.0 2.0
   57    61    63    67   3.62500 -1.0 2.0
   57    61    91    74   3.62500 -1.0 2.0
   57    61    91    92   3.62500 -1.0 2.0
   58    57    61    63   0.56550  1.0 3.0
   58    57    61    91   0.56550  1.0 3.0
   61    63    67    68   3.62500 -1.0 2.0
   61    63    67    72   3.62500 -1.0 2.0
   63    61    91    74   3.62500 -1.0 2.0
   63    61    91    92   3.62500 -1.0 2.0
   63    67   -72    74   3.62500 -1.0 2.0
   63    67    72    76   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    72   3.62500 -1.0 2.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    91   3.62500 -1.0 2.0
   67    72    76    77   0.00000  1.0 1.0
   67    72    76    78   0.00000  1.0 1.0
   67    72    76    79   0.00000  1.0 1.0
   68    67    72    74   3.62500 -1.0 2.0
   68    67    72    76   3.62500 -1.0 2.0
   72    74   -91    61   3.62500 -1.0 2.0
   72    74    91    92   3.62500 -1.0 2.0
   74    72    76    77   0.00000  1.0 1.0
   74    72    76    78   0.00000  1.0 1.0
   74    72    76    79   0.00000  1.0 1.0
   75    74    91    61   3.62500 -1.0 2.0
   75    74    91    92   3.62500 -1.0 2.0
   91    61    63    64   3.62500 -1.0 2.0
   91    61   -63    67   3.62500 -1.0 2.0
   76    72    74    75   3.62500 -1.0 2.0
   76    72    74    91   3.62500 -1.0 2.0
   56    53    54    55   1.00600 -1.0 2.0
   56    53    54    57   1.09650  1.0 1.0
   56    53    54    57   0.48950 -1.0 2.0
   56    53    54    57   0.49400  1.0 3.0
   56    59    62    65   4.00000 -1.0 2.0
   56    59    62    93   4.00000 -1.0 2.0
   59    62    65    66   1.50000 -1.0 2.0
   59    62    65    69   3.96800 -1.0 2.0
   59    62    93    80   3.96800 -1.0 2.0
   59    62    93    94   1.50000 -1.0 2.0
   60    59    62    65   1.50000 -1.0 2.0
   60    59    62    93   1.50000 -1.0 2.0
   62    65    69    70   0.08850  1.0 3.0
   62    65    69    71   0.08850  1.0 3.0
   62    65    69    73   0.25550 -1.0 2.0
   65    62    93    80   3.96800 -1.0 2.0
   65    62    93    94   1.50000 -1.0 2.0
   65    69   -73    80   1.34550  1.0 1.0
   65    69   -73    80  -0.31050 -1.0 2.0
   65    69   -73    80   0.95500  1.0 3.0
   65    69    73    83   1.34550  1.0 1.0
   65    69    73    83  -0.31050 -1.0 2.0
   65    69    73    83   0.95500  1.0 3.0
   65    69    73    87   1.34550  1.0 1.0
   65    69    73    87  -0.31050 -1.0 2.0
   65    69    73    87   0.95500  1.0 3.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    73  -0.09500  1.0 1.0
   66    65    69    73  -0.20850 -1.0 2.0
   66    65    69    73   0.20900  1.0 3.0
   69    73    80    81   0.15000  1.0 3.0
   69    73    80    82   0.15000  1.0 3.0
   69    73    80    93   1.34550  1.0 1.0
   69    73    80    93  -0.31050 -1.0 2.0
   69    73    80    93   0.95500  1.0 3.0
   69    73    83    84   0.15000  1.0 3.0
   69    73    83    85   0.15000  1.0 3.0
   69    73    83    86   0.15000  1.0 3.0
   69    73    87    88   0.15000  1.0 3.0
   69    73    87    89   0.15000  1.0 3.0
   69    73    87    90   0.15000  1.0 3.0
   70    69    73    80   0.15000  1.0 3.0
   70    69    73    83   0.15000  1.0 3.0
   70    69    73    87   0.15000  1.0 3.0
   71    69    73    80   0.15000  1.0 3.0
   71    69    73    83   0.15000  1.0 3.0
   71    69    73    87   0.15000  1.0 3.0
   73    80   -93    62   0.25550 -1.0 2.0
   73    80    93    94  -0.09500  1.0 1.0
   73    80    93    94  -0.20850 -1.0 2.0
   73    80    93    94   0.20900  1.0 3.0
   80    73    83    84   0.15000  1.0 3.0
   80    73    83    85   0.15000  1.0 3.0
   80    73    83    86   0.15000  1.0 3.0
   80    73    87    88   0.15000  1.0 3.0
   80    73    87    89   0.15000  1.0 3.0
   80    73    87    90   0.15000  1.0 3.0
   81    80    93    62   0.08850  1.0 3.0
   81    80    93    94   0.00000  1.0 1.0
   82    80    93    62   0.08850  1.0 3.0
   82    80    93    94   0.00000  1.0 1.0
   93    62    65    66   1.50000 -1.0 2.0
   93    62   -65    69   3.96800 -1.0 2.0
   83    73    80    81   0.15000  1.0 3.0
   83    73    80    82   0.15000  1.0 3.0
   83    73    80    93   1.34550  1.0 1.0
   83    73    80    93  -0.31050 -1.0 2.0
   83    73    80    93   0.95500  1.0 3.0
   83    73    87    88   0.15000  1.0 3.0
   83    73    87    89   0.15000  1.0 3.0
   83    73    87    90   0.15000  1.0 3.0
   87    73    80    81   0.15000  1.0 3.0
   87    73    80    82   0.15000  1.0 3.0
   87    73    80    93   1.34550  1.0 1.0
   87    73    80    93  -0.31050 -1.0 2.0
   87    73    80    93   0.95500  1.0 3.0
   87    73    83    84   0.15000  1.0 3.0
   87    73    83    85   0.15000  1.0 3.0
   87    73    83    86   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   45    50    49    39   1.10000 -1.0 2.0
   44    48    47    51  15.00000 -1.0 2.0
   53    52    51    47  15.00000 -1.0 2.0
   51    54    53    56  10.50000 -1.0 2.0
   53    55    54    57  15.00000 -1.0 2.0
   61    58    57    54  15.00000 -1.0 2.0
   63    91    61    57   4.00000 -1.0 2.0
   67    64    63    61   1.10000 -1.0 2.0
   72    68    67    63   1.10000 -1.0 2.0
   74    76    72    67   4.00000 -1.0 2.0
   91    75    74    72   1.10000 -1.0 2.0
   74    92    91    61   1.10000 -1.0 2.0
   56    60    59    62   1.00000 -1.0 2.0
   65    93    62    59  10.50000 -1.0 2.0
   66    62    65    69   1.00000 -1.0 2.0
   94    62    93    80   1.00000 -1.0 2.0
END
