* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    162    246     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039   105.70957   -27.48546
    3     1 S   H    _H1_     3     1.02080    64.09452    76.01990
    4     1 S   H    _H2_     4     1.02107    48.39055  -128.68990
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C14    36     1.82350    98.09912   161.82333
   34    33 S   HC   _H5_    37     1.09514   108.06970   -39.59129
   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     1.49987   108.40678    80.01741
   39    38 S   HC   _H20    39     1.08229   124.06718   -66.30083
   40    38 S   CM   _C16    40     1.33594   111.52701   112.76887
   41    40 S   CM   _C12    41     1.44541   112.15661     1.83141
   42    40 S   OH   _O33    88     1.36606   124.72100  -179.45035
   43    42 S   HO   _H21    89     0.96711   110.69487     0.01978
   44    33 S   CT   _C13    42     1.55684   117.20888  -164.10260
   45    44 S   HC   _H4_    43     1.10101   106.59224   145.82301
   46    41 S   CM   _C11    63     1.33829   127.30657  -169.36333
   47    46 S   HC   _H19    64     1.08686   118.61311     0.62558
   48    44 S   CT   _C17    44     1.52731   116.45230    26.69424
   49    48 S   HC   _H22    45     1.09442   108.82548   -63.08320
   50    48 S   HC   _H23    46     1.09377   109.03486  -179.77532
   51    46 S   CT   _C10    65     1.50223   124.02879   179.98022
   52    51 S   HC   _H17    66     1.09792   110.07742    60.03662
   53    51 S   HC   _H18    67     1.09643   107.89093   -56.76364
   54    48 S   CM   _C18    47     1.49728   111.18420    60.01226
   55    54 S   HC   _H24    48     1.08733   116.86748   -90.63596
   56    51 S   CT   _C9_    68     1.53511   111.69976  -177.67695
   57    56 S   HC   _H3_    69     1.09682   110.15489   -59.96792
   58    54 S   CM   _C19    49     1.34093   123.66248    88.41057
   59    58 S   HC   _H25    50     1.08781   119.46426  -179.36449
   60    56 S   CT   _C8_    70     1.53553   111.00485   178.60394
   61    60 S   HC   _H15    71     1.09692   109.50271   -60.02657
   62    60 S   HC   _H16    72     1.09564   109.15104    57.54238
   63    56 S   OH   _O36    86     1.42689   109.32394    57.93108
   64    63 S   HO   _H32    87     0.96925   106.41104    60.00726
   65    58 S   CT   _C20    51     1.50096   123.79517    -0.01978
   66    65 S   HC   _H26    52     1.09699   108.35671  -149.94504
   67    65 S   HC   _H27    53     1.09624   110.52585   -33.38336
   68    60 S   CT   _C7_    73     1.53358   112.03038   178.42405
   69    68 S   HC   _H13    74     1.09617   110.06198   -55.56992
   70    68 S   HC   _H14    75     1.09729   109.00716    61.18520
   71    65 S   CT   _C21    54     1.53139   111.15154    89.39806
   72    71 S   HC   _H28    55     1.09741   109.24974    59.99300
   73    71 S   HC   _H29    56     1.09769   110.03878   -56.63755
   74    68 S   CT   _C6_    76     1.53148   113.32699  -178.37286
   75    74 S   HC   _H11    77     1.09681   109.64577    60.09845
   76    74 S   HC   _H12    78     1.09806   108.10083   -55.78945
   77    71 S   CT   _C22    57     1.52640   112.27086  -179.75371
   78    77 S   HC   _H30    58     1.09660   109.48974    55.10303
   79    77 S   HC   _H31    59     1.09730   108.39682   -61.00850
   80    74 S   CT   _C5_    79     1.52902   113.39851  -176.76838
   81    80 S   HC   _H9_    80     1.09602   109.92506    55.95838
   82    80 S   HC   _H10    81     1.09517   110.35740   -62.29246
   83    77 S   CO3  _C23    60     1.53265   116.59861   179.23026
   84    83 S   O2Z  _O35    61     1.26208   116.40210   175.49380
   85    83 S   O2Z  _O34    62     1.26484   114.19523    -5.14228
   86    80 S   CT   _C4_    82     1.52150   111.33542   177.03562
   87    86 S   HC   _H6_    83     1.09442   110.25794    58.48877
   88    86 S   HC   _H7_    84     1.09507   110.96999   -61.27726
   89    86 S   HC   _H8_    85     1.09538   110.98750   178.23187
  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
  13   7   2   1   1   9   4   9  14   3   1  10   5   9   4   7
   4   3  10   5   4   7   3  10   6   8   4  11   6   5   2   1
   9   5   4   9   5   4   8   5   4   9   5   4   5   4   3   6
   5   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    50    54    46    42  
   38    39    40    41    44    45    48  
   36    37  
   37  
    0  
   39    40    41    44    45    48    46    42    43  
   40    41    44    42  
   41    44    45    48    46    47    51    42    43  
   44    45    48    49    50    54    46    47    51    52    53    56    42    43  
   43    44    46  
    0  
   45    48    49    50    54    55    58    46    47    51  
   48    49    50    54    46  
   47    51    52    53    56    57    60    63    48  
   51    52    53    56  
   49    50    54    55    58    59    65  
   50    54    55    58  
   54    55    58  
   52    53    56    57    60    61    62    68    63    64  
   53    56    57    60    63  
   56    57    60    63  
   55    58    59    65    66    67    71  
   58    59    65  
   57    60    61    62    68    69    70    74    63    64  
   60    61    62    68    63    64  
   59    65    66    67    71    72    73    77  
   65    66    67    71  
   61    62    68    69    70    74    75    76    80    63    64  
   62    68    69    70    74    63  
   68    69    70    74    63  
   64    68  
    0  
   66    67    71    72    73    77    78    79    83  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82    86  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    83    84    85  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82    86    87    88    89  
   76    80    81    82    86  
   80    81    82    86  
   78    79    83    84    85  
   79    83    84    85  
   83    84    85  
   81    82    86    87    88    89  
   82    86    87    88    89  
   86    87    88    89  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    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    44   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    42   510.000  1.338
   41    44   317.000  1.510
   41    46   549.000  1.340
   44    45   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   63    64   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    44    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    44    41    70.00000  112.02700
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    70.00000  124.00000
   40    41    46    70.00000  123.01800
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    48    70.00000  112.02700
   41    46    47    35.00000  120.00000
   41    46    51    70.00000  124.00000
   44    33    34    37.50000  110.70000
   44    33    38    70.00000  112.02700
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    54    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    54    55    35.00000  117.00000
   48    54    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    65    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    71    70.00000  112.02700
   65    58    59    35.00000  117.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    70.00000  109.69300
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    70.00000  117.00000
   77    83    85    70.00000  117.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   85    83    84    80.00000  126.00000
   46    41    44    70.00000  124.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    56    70.00000  112.02700
   51    46    47    35.00000  117.00000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    63    50.00000  109.50000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    68    58.35000  112.70000
   56    63    64    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    86    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   82    80    81    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   63    56    57    35.00000  109.50000
   63    56    60    50.00000  109.50000
   42    40    41    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    44    41   0.56750  1.0 1.0
   29    33    44    41  -0.07550 -1.0 2.0
   29    33    44    41   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38   -40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    54   0.34400  1.0 1.0
   33    44    48    54   0.09450 -1.0 2.0
   33    44    48    54   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    44    41   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    48   0.15000  1.0 3.0
   38    33   -44    41   0.31000  1.0 1.0
   38    33   -44    41   0.14700 -1.0 2.0
   38    33   -44    41   0.07550  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    48   0.34400  1.0 1.0
   38    33    44    48   0.09450 -1.0 2.0
   38    33    44    48   0.11100  1.0 3.0
   38    40   -41    44  -0.18600  1.0 3.0
   38    40    41    46   0.28850  1.0 1.0
   38    40    41    46   2.61350 -1.0 2.0
   38    40    41    46   0.78400  1.0 3.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    41   -44    33   0.98200  1.0 1.0
   40    41   -44    33  -0.11900 -1.0 2.0
   40    41   -44    33   0.24250  1.0 3.0
   40    41    44    45   0.00000  1.0 1.0
   40    41    44    48   0.98200  1.0 1.0
   40    41    44    48  -0.11900 -1.0 2.0
   40    41    44    48   0.24250  1.0 3.0
   40    41    46    47   7.00000 -1.0 2.0
   40    41    46    51   7.00000 -1.0 2.0
   41    40    42    43  -0.66100  1.0 1.0
   41    40    42    43   1.20850 -1.0 2.0
   41    40    42    43  -0.36000  1.0 3.0
   41    44    48    49   0.15000  1.0 3.0
   41    44    48    50   0.15000  1.0 3.0
   41    44    48    54   0.31000  1.0 1.0
   41    44    48    54   0.14700 -1.0 2.0
   41    44    48    54   0.07550  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    53   0.00000  1.0 1.0
   41    46    51    56   0.09850  1.0 1.0
   41    46    51    56   0.15250 -1.0 2.0
   41    46    51    56  -0.50650  1.0 3.0
   44    33    38    39   0.00000  1.0 1.0
   44    33   -38    40   0.09850  1.0 1.0
   44    33   -38    40   0.15250 -1.0 2.0
   44    33   -38    40  -0.50650  1.0 3.0
   44    41    46    47   7.00000 -1.0 2.0
   44    41    46    51   7.00000 -1.0 2.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    58   0.09850  1.0 1.0
   44    48    54    58   0.15250 -1.0 2.0
   44    48    54    58  -0.50650  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   48    54    58    59   7.00000 -1.0 2.0
   48    54    58    65   7.00000 -1.0 2.0
   49    48    54    55   0.33100  1.0 3.0
   49    48    54    58   0.00000  1.0 1.0
   50    48    54    55   0.33100  1.0 3.0
   50    48    54    58   0.00000  1.0 1.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67   0.00000  1.0 1.0
   54    58    65    71   0.09850  1.0 1.0
   54    58    65    71   0.15250 -1.0 2.0
   54    58    65    71  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    65   7.00000 -1.0 2.0
   58    65    71    72   0.15000  1.0 3.0
   58    65    71    73   0.15000  1.0 3.0
   58    65    71    77   0.34400  1.0 1.0
   58    65    71    77   0.09450 -1.0 2.0
   58    65    71    77   0.11100  1.0 3.0
   59    58    65    66   0.33100  1.0 3.0
   59    58    65    67   0.33100  1.0 3.0
   59    58    65    71   0.00000  1.0 1.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    83  -1.63150  1.0 1.0
   65    71    77    83  -0.43550 -1.0 2.0
   65    71    77    83   0.24500  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77   0.15000  1.0 3.0
   71    77    83    84   0.41150 -1.0 2.0
   71    77    83    85   0.41150 -1.0 2.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83  -0.11250  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83  -0.11250  1.0 3.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.00000  1.0 1.0
   79    77    83    85   0.00000  1.0 1.0
   46    41    44    33   0.09850  1.0 1.0
   46    41    44    33   0.15250 -1.0 2.0
   46    41    44    33  -0.50650  1.0 3.0
   46    41    44    45   0.00000  1.0 1.0
   46    41    44    48   0.09850  1.0 1.0
   46    41    44    48   0.15250 -1.0 2.0
   46    41    44    48  -0.50650  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    60   0.34400  1.0 1.0
   46    51    56    60   0.09450 -1.0 2.0
   46    51    56    60   0.11100  1.0 3.0
   46    51    56    63   1.05650  1.0 1.0
   46    51    56    63   0.15600 -1.0 2.0
   46    51    56    63   0.53150  1.0 3.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    53   0.33100  1.0 3.0
   47    46    51    56   0.00000  1.0 1.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56    60    68   0.56750  1.0 1.0
   51    56    60    68  -0.07550 -1.0 2.0
   51    56    60    68   0.20000  1.0 3.0
   51    56    63    64  -0.11600  1.0 1.0
   51    56    63    64  -0.09450 -1.0 2.0
   51    56    63    64   0.21250  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   52    51    56    63   0.23400  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   53    51    56    63   0.23400  1.0 3.0
   56    60    68    69   0.15000  1.0 3.0
   56    60    68    70   0.15000  1.0 3.0
   56    60    68    74   0.56750  1.0 1.0
   56    60    68    74  -0.07550 -1.0 2.0
   56    60    68    74   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    68   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   60    56    63    64  -0.11600  1.0 1.0
   60    56    63    64  -0.09450 -1.0 2.0
   60    56    63    64   0.21250  1.0 3.0
   60    68    74    75   0.15000  1.0 3.0
   60    68    74    76   0.15000  1.0 3.0
   60    68    74    80   0.56750  1.0 1.0
   60    68    74    80  -0.07550 -1.0 2.0
   60    68    74    80   0.20000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    74   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    74   0.15000  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    86   0.56750  1.0 1.0
   68    74    80    86  -0.07550 -1.0 2.0
   68    74    80    86   0.20000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80   0.15000  1.0 3.0
   74    80    86    87   0.15000  1.0 3.0
   74    80    86    88   0.15000  1.0 3.0
   74    80    86    89   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    86   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    86   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   63    56    60    61   0.23400  1.0 3.0
   63    56    60    62   0.23400  1.0 3.0
   63    56    60    68   0.86500  1.0 1.0
   63    56    60    68  -0.17500 -1.0 2.0
   63    56    60    68   0.20800  1.0 3.0
   42    40    41    44   1.08500 -1.0 2.0
   42    40    41    46   0.50950  1.0 1.0
   42    40    41    46   0.56650 -1.0 2.0
   42    40    41    46   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   40    44    41    46   1.10000 -1.0 2.0
   48    55    54    58  15.00000 -1.0 2.0
   65    59    58    54  15.00000 -1.0 2.0
   84    77    83    85  10.50000 -1.0 2.0
   51    47    46    41   1.10000 -1.0 2.0
END
