* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    158    241     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091    87.70853   -72.75132
    3     1 S   H    _H1_     3     1.02063    92.71395    35.84453
    4     1 S   H    _H2_     4     1.02100    33.10708   156.87743
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C9_    36     1.86178    96.89588   159.98065
   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   _C8_    37     1.52071   105.55322   -59.96381
   38    37 S   HC   _H8_    38     1.09241   115.28452   -56.87035
   39    33 S   CM   _C11    77     1.52562   106.90752   178.01121
   40    39 S   HC   _H12    78     1.09257   114.26733   -31.26753
   41    33 S   CT   _C10    82     1.53908   106.28240    62.72344
   42    41 S   HC   _H9_    83     1.09736   110.95705    63.52550
   43    41 S   HC   _H10    84     1.09788   111.99167  -177.41616
   44    41 S   HC   _H11    85     1.09661   112.21020   -56.58400
   45    37 S   CM   _C7_    39     1.34496   127.06530   122.90631
   46    45 S   HC   _H7_    40     1.08295   119.35812    -0.08847
   47    39 S   CMA  _C12    79     1.34020   130.27745   146.36351
   48    47 S   OM   _O33    80     1.39593   117.93005  -178.98973
   49    47 S   OM   _O34    81     1.39156   121.55456    -0.99111
   50    45 S   CM   _C6_    41     1.45048   122.69457  -179.76344
   51    50 S   HC   _H6_    42     1.09061   114.09353    -0.02798
   52    50 S   CM   _C5_    43     1.35040   128.42964   179.97202
   53    52 S   CM   _C13    44     1.46248   124.13278   179.98022
   54    53 S   HC   _H13    45     1.08691   117.04692     0.08623
   55    52 S   CT   _C4_    73     1.51165   118.49958    -0.12033
   56    55 S   HC   _H3_    74     1.09533   112.35845    89.99136
   57    55 S   HC   _H4_    75     1.09630   110.70235   -29.47065
   58    55 S   HC   _H5_    76     1.09579   110.76446  -150.43667
   59    53 S   CM   _C14    46     1.34452   126.77009   179.97202
   60    59 S   HC   _H14    47     1.08585   120.07452     0.06256
   61    59 S   C3T  _C15    48     1.47619   125.12165  -179.90513
   62    61 S   CT   _C20    49     1.49270   113.27139   120.03426
   63    61 S   O3T  _O35    60     1.39359   109.46979   -46.64974
   64    62 S   CT   _C19    50     1.57716   103.61328    70.36486
   65    64 S   HC   _H19    51     1.09856   109.35420   -75.92498
   66    64 S   HC   _H20    52     1.09699   110.19247   168.38490
   67    62 S   CT   _C21    65     1.53529   115.63534  -167.14784
   68    67 S   HC   _H21    66     1.08469   109.18454    61.86231
   69    67 S   HC   _H22    67     1.08499   109.12635   -58.06752
   70    67 S   HC   _H23    68     1.08434   109.22122  -178.10081
   71    62 S   CT   _C22    69     1.54133   109.15169   -45.83222
   72    71 S   HC   _H24    70     1.08025   108.65685   -67.42402
   73    71 S   HC   _H25    71     1.08167   108.55704   172.63921
   74    71 S   HC   _H26    72     1.08098   108.63227    52.64394
   75    64 S   CT   _C18    53     1.56263   115.13886    44.31215
   76    75 S   HC   _H17    54     1.09710   107.85730    83.83813
   77    75 S   HC   _H18    55     1.09596   109.55840  -160.80918
   78    75 S   CT   _C17    56     1.56048   114.53445   -37.30196
   79    78 S   HC   _H15    57     1.09639   108.69780   168.85682
   80    78 S   HC   _H16    58     1.09486   111.36619   -75.45613
   81    61 S   C3T  _C16    59     1.55322   122.65686  -109.13068
   82    81 S   CT   _C23    61     1.49380   130.86035   175.12263
   83    82 S   HC   _H27    62     1.10013   111.47873   -45.85516
   84    82 S   HC   _H28    63     1.09970   111.47272  -165.90133
   85    82 S   HC   _H29    64     1.10108   111.41574    74.08468
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  14   2   1   1  13   5   9   4   5   2   1   1   6   3   2   1
   1   9   3   9  11   4   4   2   1   1  10   4  22  18  12  17
   7   6   9   3   2   1   5   2   1   1   7   5   4   7   3   2
   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    52    53    55  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    59    55    56    57    58  
   52    53    55  
   53    54    59    60    61    55    56    57    58  
   54    59    60    61    62    81    63    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    64    78    81    63    82    67    71  
   61    62    81    63  
   62    64    65    66    75    78    79    80    81    63    82    83    84    85    67    68    69    70    71    72    73    74  
   64    65    66    75    76    77    78    81    63    82    67    68    69    70    71    72    73    74  
   82    83    84    85    67    71    64    75    78    79    80    81  
   65    66    75    76    77    78    79    80    81    67    68    69    70    71    72    73    74  
   66    75    76    77    78    67    71  
   75    76    77    78    67    71  
   68    69    70    71    72    73    74    75    81  
   69    70    71  
   70    71  
   71  
   72    73    74    75    81  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   380.000  1.444
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   340.000  1.080
   59    61   305.000  1.480
   61    62   275.000  1.510
   61    81   260.000  1.509
   61    63   335.000  1.432
   62    64   268.000  1.529
   62    67   268.000  1.529
   62    71   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   275.000  1.510
   81    63   335.000  1.432
   81    82   275.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   745.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    52    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    52    53    70.00000  123.01800
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    59    70.00000  123.01800
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    61    55.00000  125.06700
   59    53    54    35.00000  120.00000
   59    61    62    65.00000  117.55000
   59    61    81    60.00000  120.58800
   59    61    63    85.00000  114.23300
   61    59    60    40.00000  117.24000
   61    62    64    70.00000  112.37300
   61    62    67    70.00000  112.37300
   61    62    71    70.00000  112.37300
   61    81    78    60.00000  120.94000
   61    81    63    15.00000   60.43100
   61    81    82    60.00000  120.94000
   61    63    81    15.00000   59.14900
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    75    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   64    75    76    37.50000  110.70000
   64    75    77    37.50000  110.70000
   64    75    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   75    64    65    37.50000  110.70000
   75    64    66    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    70.00000  112.37300
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    63    80.00000  116.47100
   78    81    82    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    61    62    60.00000  120.94000
   81    78    79    45.00000  109.38400
   81    78    80    45.00000  109.38400
   81    82    83    45.00000  109.38400
   81    82    84    45.00000  109.38400
   81    82    85    45.00000  109.38400
   63    61    62    80.00000  116.47100
   63    61    81    15.00000   60.43100
   82    81    63    80.00000  116.47100
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   67    62    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    64    58.35000  112.70000
   71    62    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    65.00000  137.10300
   47    39    40    40.00000  120.50800
   49    47    48    65.00000  121.00000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51  -0.18600  1.0 3.0
   37    45    50    52   0.28850  1.0 1.0
   37    45    50    52   2.61350 -1.0 2.0
   37    45    50    52   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    55   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52  -0.18600  1.0 3.0
   50    52    53    54  -0.18600  1.0 3.0
   50    52    53    59   0.28850  1.0 1.0
   50    52    53    59   2.61350 -1.0 2.0
   50    52    53    59   0.78400  1.0 3.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    58   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53    59    60   7.00000 -1.0 2.0
   52    53    59    61   7.00000 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    58   0.00000  1.0 1.0
   53    59    61    62   0.09850  1.0 1.0
   53    59    61    62   0.15250 -1.0 2.0
   53    59    61    62  -0.50650  1.0 3.0
   53    59    61    81   0.09850  1.0 1.0
   53    59    61    81   0.15250 -1.0 2.0
   53    59    61    81  -0.50650  1.0 3.0
   53    59    61    63   0.39000  1.0 1.0
   53    59    61    63  -0.05800 -1.0 2.0
   53    59    61    63  -0.55150  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    61   7.00000 -1.0 2.0
   59    61    62    64   0.34400  1.0 1.0
   59    61    62    64   0.09450 -1.0 2.0
   59    61    62    64   0.11100  1.0 3.0
   59    61    62    67   0.34400  1.0 1.0
   59    61    62    67   0.09450 -1.0 2.0
   59    61    62    67   0.11100  1.0 3.0
   59    61    62    71   0.34400  1.0 1.0
   59    61    62    71   0.09450 -1.0 2.0
   59    61    62    71   0.11100  1.0 3.0
   59    61    81    78   0.34400  1.0 1.0
   59    61    81    78   0.09450 -1.0 2.0
   59    61    81    78   0.11100  1.0 3.0
   59    61   -81    63   0.61850  1.0 1.0
   59    61   -81    63  -0.22750 -1.0 2.0
   59    61   -81    63   0.15300  1.0 3.0
   59    61    81    82   0.34400  1.0 1.0
   59    61    81    82   0.09450 -1.0 2.0
   59    61    81    82   0.11100  1.0 3.0
   59    61   -63    81  -0.77900  1.0 1.0
   59    61   -63    81  -0.36900 -1.0 2.0
   59    61   -63    81   0.40400  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    81   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   61    62    64    65   0.15000  1.0 3.0
   61    62    64    66   0.15000  1.0 3.0
   61    62    64    75   0.47050  1.0 1.0
   61    62    64    75   0.03900 -1.0 2.0
   61    62    64    75   0.20100  1.0 3.0
   61    62    67    68   0.15000  1.0 3.0
   61    62    67    69   0.15000  1.0 3.0
   61    62    67    70   0.15000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    73   0.15000  1.0 3.0
   61    62    71    74   0.15000  1.0 3.0
   61    81    82    83   0.15000  1.0 3.0
   61    81    82    84   0.15000  1.0 3.0
   61    81    82    85   0.15000  1.0 3.0
   62    61    81    78   0.56750  1.0 1.0
   62    61    81    78  -0.07550 -1.0 2.0
   62    61    81    78   0.20000  1.0 3.0
   62    61   -81    63   0.02550  1.0 1.0
   62    61   -81    63  -0.02600 -1.0 2.0
   62    61   -81    63   1.20400  1.0 3.0
   62    61    81    82   0.56750  1.0 1.0
   62    61    81    82  -0.07550 -1.0 2.0
   62    61    81    82   0.20000  1.0 3.0
   62    61   -63    81   0.06250  1.0 1.0
   62    61   -63    81  -0.01100 -1.0 2.0
   62    61   -63    81   0.28050  1.0 3.0
   62    64    75    76   0.15000  1.0 3.0
   62    64    75    77   0.15000  1.0 3.0
   62    64   -75    78   0.56750  1.0 1.0
   62    64   -75    78  -0.07550 -1.0 2.0
   62    64   -75    78   0.20000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    74   0.15000  1.0 3.0
   64    75    78    79   0.15000  1.0 3.0
   64    75    78    80   0.15000  1.0 3.0
   64    75    78    81   0.47050  1.0 1.0
   64    75    78    81   0.03900 -1.0 2.0
   64    75    78    81   0.20100  1.0 3.0
   65    64    75    76   0.15000  1.0 3.0
   65    64    75    77   0.15000  1.0 3.0
   65    64    75    78   0.15000  1.0 3.0
   66    64    75    76   0.15000  1.0 3.0
   66    64    75    77   0.15000  1.0 3.0
   66    64    75    78   0.15000  1.0 3.0
   75    78   -81    61   0.07850  1.0 1.0
   75    78   -81    61  -0.03950 -1.0 2.0
   75    78   -81    61   0.67350  1.0 3.0
   75    78    81    63   0.02550  1.0 1.0
   75    78    81    63  -0.02600 -1.0 2.0
   75    78    81    63   1.20400  1.0 3.0
   75    78    81    82   0.56750  1.0 1.0
   75    78    81    82  -0.07550 -1.0 2.0
   75    78    81    82   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81   -63    61   0.06250  1.0 1.0
   78    81   -63    61  -0.01100 -1.0 2.0
   78    81   -63    61   0.28050  1.0 3.0
   78    81    82    83   0.15000  1.0 3.0
   78    81    82    84   0.15000  1.0 3.0
   78    81    82    85   0.15000  1.0 3.0
   79    78    81    61   0.15000  1.0 3.0
   79    78    81    63   0.23400  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   80    78    81    61   0.15000  1.0 3.0
   80    78    81    63   0.23400  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   81    61   -62    64   0.07850  1.0 1.0
   81    61   -62    64  -0.03950 -1.0 2.0
   81    61   -62    64   0.67350  1.0 3.0
   81    61    62    67   0.07850  1.0 1.0
   81    61    62    67  -0.03950 -1.0 2.0
   81    61    62    67   0.67350  1.0 3.0
   81    61    62    71   0.07850  1.0 1.0
   81    61    62    71  -0.03950 -1.0 2.0
   81    61    62    71   0.67350  1.0 3.0
   63    61    62    64   0.02550  1.0 1.0
   63    61    62    64  -0.02600 -1.0 2.0
   63    61    62    64   1.20400  1.0 3.0
   63    61    62    67   0.02550  1.0 1.0
   63    61    62    67  -0.02600 -1.0 2.0
   63    61    62    67   1.20400  1.0 3.0
   63    61    62    71   0.02550  1.0 1.0
   63    61    62    71  -0.02600 -1.0 2.0
   63    61    62    71   1.20400  1.0 3.0
   63    61   -81    78   0.02550  1.0 1.0
   63    61   -81    78  -0.02600 -1.0 2.0
   63    61   -81    78   1.20400  1.0 3.0
   63    61   -81    82   0.02550  1.0 1.0
   63    61   -81    82  -0.02600 -1.0 2.0
   63    61   -81    82   1.20400  1.0 3.0
   63    81    82    83   0.23400  1.0 3.0
   63    81    82    84   0.23400  1.0 3.0
   63    81    82    85   0.23400  1.0 3.0
   82    81   -63    61   0.06250  1.0 1.0
   82    81   -63    61  -0.01100 -1.0 2.0
   82    81   -63    61   0.28050  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    75   0.56750  1.0 1.0
   67    62    64    75  -0.07550 -1.0 2.0
   67    62    64    75   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    73   0.15000  1.0 3.0
   67    62    71    74   0.15000  1.0 3.0
   71    62    64    65   0.15000  1.0 3.0
   71    62    64    66   0.15000  1.0 3.0
   71    62    64    75   0.56750  1.0 1.0
   71    62    64    75  -0.07550 -1.0 2.0
   71    62    64    75   0.20000  1.0 3.0
   71    62    67    68   0.15000  1.0 3.0
   71    62    67    69   0.15000  1.0 3.0
   71    62    67    70   0.15000  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    59  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   45    51    50    52  15.00000 -1.0 2.0
   53    55    52    50  15.00000 -1.0 2.0
   52    54    53    59  15.00000 -1.0 2.0
   61    60    59    53  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
