* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    218     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02154    57.16744  -114.35606
    3     1 S   H    _H1_     3     1.02072   106.64561   -12.51240
    4     1 S   H    _H2_     4     1.02088    54.95180    88.95254
    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     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.86928    96.96712  -178.15273
   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   _C11    37     1.54334   107.41349   -59.99828
   38    37 S   CM   _C12    38     1.35852   120.20848   103.69942
   39    37 S   CT   _C10    55     1.55387   116.47639   -77.35655
   40    38 S   CM   _C13    39     1.44886   122.62023     0.38967
   41    38 S   OH   _O36    53     1.37930   125.19981  -179.73607
   42    41 S   HO   _H19    54     0.96255   109.89156     0.11364
   43    39 S   CT   _C9_    56     1.54917   112.39416    -7.17898
   44    43 S   HC   _H11    57     1.08969   110.79174  -167.31567
   45    43 S   HC   _H12    58     1.08806   110.03986    76.29071
   46    39 S   CM   _C20    72     1.51841   111.08998  -125.81408
   47    46 S   HC   _H23    73     1.08620   117.11343  -150.03350
   48    39 S   CT   _C19    77     1.54601   110.96420   112.59234
   49    48 S   HC   _H20    78     1.08028   108.64490   180.00000
   50    48 S   HC   _H21    79     1.08105   108.63076    59.98172
   51    48 S   HC   _H22    80     1.08102   108.56391   -60.00886
   52    40 S   CM   _C14    40     1.33423   123.43509     5.85675
   53    40 S   OS   _O35    48     1.38633   116.91916  -175.47706
   54    43 S   CT   _C8_    59     1.52065   112.61046   -45.29792
   55    54 S   HC   _H9_    60     1.09279   107.91124  -179.48149
   56    54 S   HC   _H10    61     1.09274   109.21222   -64.74443
   57    46 S   CM   _C21    74     1.33734   124.03462    30.02634
   58    57 S   HC   _H24    75     1.08422   120.42167  -179.92598
   59    57 S   HC   _H25    76     1.08432   121.54742    -0.06853
   60    33 S   CO4  _C15    41     1.55444   102.89750    59.86901
   61    60 S   O    _O33    42     1.23244   122.32174    74.34608
   62    52 S   OS   _O34    43     1.37858   121.90206   178.27036
   63    53 S   CT   _C18    49     1.40512   112.42167    91.25656
   64    63 S   HC   _H16    50     1.09243   109.49052  -180.00000
   65    63 S   HC   _H17    51     1.09280   109.50973    59.25477
   66    63 S   HC   _H18    52     1.09271   108.99107   -60.38566
   67    33 S   CT   _C7_    62     1.56971   113.86831   176.14390
   68    67 S   HC   _H3_    63     1.10295   105.34292  -157.78560
   69    62 S   CT   _C17    44     1.40759   112.64371   -89.98906
   70    69 S   HC   _H13    45     1.09292   109.48349   179.96574
   71    69 S   HC   _H14    46     1.09313   109.55568    59.20853
   72    69 S   HC   _H15    47     1.09212   108.98568   -60.47269
   73    67 S   CM   _C5_    64     1.50824   114.96880   -43.28003
   74    73 S   CM   _C6_    65     1.34054   121.96685    65.02912
   75    74 S   HC   _H7_    66     1.08425   121.39640  -179.98022
   76    74 S   HC   _H8_    67     1.08526   121.34593     0.01978
   77    73 S   CT   _C4_    68     1.50057   116.14816  -115.00786
   78    77 S   HC   _H4_    69     1.09433   110.28118   -89.94706
   79    77 S   HC   _H5_    70     1.09462   110.26446    29.87969
   80    77 S   HC   _H6_    71     1.09508   112.17248   149.91364
  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
  20   2   1   1  23  13  19  12   3   1  15   7   6   9   4   5
   2   1   1  10   6   8   4   3   2   1   1   6   2   4   3   2
   1   1   9   3   3   2   1   1   7   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    67    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    52    60    61    39    54    67    68    73  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    52    60    61    62    41    39    43    54    55    56    67    68    73    74    77    46    48  
   35    36  
   36  
    0  
   38    40    52    60    61    53    41    42    39    43    44    45    54    67    68    73    46    47    57    48    49    50    51  
   40    52    60    62    53    63    41    42    39    43    67    46    48  
   43    44    45    54    55    56    67    46    47    57    58    59    48    49    50    51    40    41    60  
   52    60    61    62    69    53    63    64    65    66    41    42  
   42    52    53  
    0  
   44    45    54    55    56    67    68    73    46    47    57    48    49    50    51  
   45    54    55    56    67    46    48  
   54    55    56    67    46    48  
   47    57    58    59    48    49    50    51    54  
   57    58    59    48  
   49    50    51    54    57  
   50    51  
   51  
    0  
   60    61    62    69    70    71    72    53    63    67  
   63    64    65    66    60    62  
   55    56    67    68    73    74    77    60  
   56    67    68    73  
   67    68    73  
   58    59  
   59  
    0  
   61    62    69    67    68    73  
   62    67  
   69    70    71    72  
   64    65    66  
   65    66  
   66  
    0  
   68    73    74    75    76    77    78    79    80  
   73    74    77  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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    60   317.000  1.522
   33    67   268.000  1.529
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    40   380.000  1.444
   38    41   510.000  1.338
   40    52   549.000  1.340
   40    53   440.000  1.360
   52    60   320.000  1.462
   52    62   440.000  1.360
   60    61   570.000  1.229
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   41    42   553.000  0.945
   39    43   268.000  1.529
   39    46   317.000  1.510
   39    48   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    67   268.000  1.529
   67    68   340.000  1.090
   67    73   317.000  1.510
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   46    47   340.000  1.080
   46    57   549.000  1.340
   57    58   340.000  1.080
   57    59   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    60    75.00000  110.18000
   29    33    67    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    60    52    65.00000  118.62400
   33    60    61    80.00000  120.40000
   33    67    54    58.35000  112.70000
   33    67    68    37.50000  110.70000
   33    67    73    70.00000  112.02700
   37    38    40    70.00000  123.01800
   37    38    41    80.00000  121.38400
   37    39    43    70.00000  112.02700
   37    39    46    70.00000  110.12100
   37    39    48    70.00000  112.02700
   38    40    52    70.00000  123.01800
   38    40    53    80.00000  120.01400
   38    41    42    70.00000  107.45700
   40    52    60    65.00000  118.96000
   40    52    62    80.00000  120.01400
   40    53    63    90.00000  111.18400
   52    60    61    80.00000  123.72100
   52    62    69    90.00000  111.18400
   60    33    37    70.00000  109.06800
   62    52    60    85.00000  116.28000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   53    40    52    80.00000  120.01400
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   41    38    40    80.00000  121.38400
   39    37    38    70.00000  124.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    54    58.35000  112.70000
   39    46    47    35.00000  117.00000
   39    46    57    70.00000  124.00000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   43    54    55    37.50000  110.70000
   43    54    56    37.50000  110.70000
   43    54    67    58.35000  112.70000
   45    43    44    33.00000  107.80000
   54    43    44    37.50000  110.70000
   54    43    45    37.50000  110.70000
   54    67    68    37.50000  110.70000
   54    67    73    70.00000  112.02700
   56    54    55    33.00000  107.80000
   67    33    37    70.00000  112.02700
   67    33    60    63.00000  111.10000
   67    54    55    37.50000  110.70000
   67    54    56    37.50000  110.70000
   67    73    74    70.00000  124.00000
   67    73    77    65.00000  117.92700
   73    67    68    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   46    39    43    70.00000  112.02700
   46    57    58    35.00000  120.00000
   46    57    59    35.00000  120.00000
   57    46    47    35.00000  120.00000
   59    57    58    35.00000  117.00000
   48    39    43    58.35000  112.70000
   48    39    46    70.00000  112.02700
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    60    52   0.65300  1.0 1.0
   29    33    60    52  -0.03850 -1.0 2.0
   29    33    60    52   0.33900  1.0 3.0
   29    33    60    61   0.30150 -1.0 2.0
   29    33    67    54   0.44750  1.0 1.0
   29    33    67    54  -0.17800 -1.0 2.0
   29    33    67    54   0.20200  1.0 3.0
   29    33    67    68   0.15000  1.0 3.0
   29    33    67    73   0.56750  1.0 1.0
   29    33    67    73  -0.07550 -1.0 2.0
   29    33    67    73   0.20000  1.0 3.0
   33    37    38    40   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    39    43   0.46850  1.0 1.0
   33    37    39    43   0.08550 -1.0 2.0
   33    37    39    43   0.09800  1.0 3.0
   33    37    39    46   0.09700  1.0 1.0
   33    37    39    46   0.15600 -1.0 2.0
   33    37    39    46  -0.50800  1.0 3.0
   33    37    39    48   0.46850  1.0 1.0
   33    37    39    48   0.08550 -1.0 2.0
   33    37    39    48   0.09800  1.0 3.0
   33    67    73    74   0.09850  1.0 1.0
   33    67    73    74   0.15250 -1.0 2.0
   33    67    73    74  -0.50650  1.0 3.0
   33    67    73    77   0.46850  1.0 1.0
   33    67    73    77   0.08550 -1.0 2.0
   33    67    73    77   0.09800  1.0 3.0
   37    33    60    52   0.65300  1.0 1.0
   37    33    60    52  -0.03850 -1.0 2.0
   37    33    60    52   0.33900  1.0 3.0
   37    33    60    61   0.30150 -1.0 2.0
   37    33    67    54   0.34400  1.0 1.0
   37    33    67    54   0.09450 -1.0 2.0
   37    33    67    54   0.11100  1.0 3.0
   37    33    67    68   0.15000  1.0 3.0
   37    33    67    73   0.31000  1.0 1.0
   37    33    67    73   0.14700 -1.0 2.0
   37    33    67    73   0.07550  1.0 3.0
   37    38   -40    52   0.28850  1.0 1.0
   37    38   -40    52   2.61350 -1.0 2.0
   37    38   -40    52   0.78400  1.0 3.0
   37    38    40    53  -0.51250  1.0 1.0
   37    38    40    53   1.23350 -1.0 2.0
   37    38    41    42  -0.66100  1.0 1.0
   37    38    41    42   1.20850 -1.0 2.0
   37    38    41    42  -0.36000  1.0 3.0
   37    39    43    44   0.15000  1.0 3.0
   37    39    43    45   0.15000  1.0 3.0
   37    39   -43    54   0.34400  1.0 1.0
   37    39   -43    54   0.09450 -1.0 2.0
   37    39   -43    54   0.11100  1.0 3.0
   37    39    46    47   0.00000  1.0 1.0
   37    39    46    57  -0.28300  1.0 1.0
   37    39    46    57   0.26700 -1.0 2.0
   37    39    46    57  -0.63300  1.0 3.0
   37    39    48    49   0.15000  1.0 3.0
   37    39    48    50   0.15000  1.0 3.0
   37    39    48    51   0.15000  1.0 3.0
   38    37    39    43   0.09850  1.0 1.0
   38    37    39    43   0.15250 -1.0 2.0
   38    37    39    43  -0.50650  1.0 3.0
   38    37    39    46  -0.28300  1.0 1.0
   38    37    39    46   0.26700 -1.0 2.0
   38    37    39    46  -0.63300  1.0 3.0
   38    37    39    48   0.09850  1.0 1.0
   38    37    39    48   0.15250 -1.0 2.0
   38    37    39    48  -0.50650  1.0 3.0
   38    40    52    60   7.00000 -1.0 2.0
   38    40    52    62   7.00000 -1.0 2.0
   38    40    53    63  -2.26850  1.0 1.0
   38    40    53    63   3.39050 -1.0 2.0
   40    38    41    42  -0.66100  1.0 1.0
   40    38    41    42   1.20850 -1.0 2.0
   40    38    41    42  -0.36000  1.0 3.0
   40    52   -60    33  -0.33500  1.0 1.0
   40    52   -60    33   1.06600 -1.0 2.0
   40    52   -60    33  -0.14000  1.0 3.0
   40    52    60    61   1.00000 -1.0 2.0
   40    52    62    69  -2.26850  1.0 1.0
   40    52    62    69   3.39050 -1.0 2.0
   40    53    63    64   0.08050  1.0 3.0
   40    53    63    65   0.08050  1.0 3.0
   40    53    63    66   0.08050  1.0 3.0
   52    40    53    63  -2.26850  1.0 1.0
   52    40    53    63   3.39050 -1.0 2.0
   52    62    69    70   0.08050  1.0 3.0
   52    62    69    71   0.08050  1.0 3.0
   52    62    69    72   0.08050  1.0 3.0
   60    33   -37    38  -0.51250  1.0 1.0
   60    33   -37    38  -0.88800 -1.0 2.0
   60    33   -37    38   0.08850  1.0 3.0
   60    33    37    39   0.17250  1.0 1.0
   60    33    37    39  -0.04100 -1.0 2.0
   60    33    37    39  -0.33850  1.0 3.0
   60    33    67    54  -0.95700  1.0 1.0
   60    33    67    54  -0.18200 -1.0 2.0
   60    33    67    54   0.29450  1.0 3.0
   60    33    67    68  -0.11250  1.0 3.0
   60    33    67    73  -0.98800  1.0 1.0
   60    33    67    73   0.48800 -1.0 2.0
   60    33    67    73   0.76800  1.0 3.0
   60    52    62    69   0.15100 -1.0 2.0
   62    52    60    33   0.32450 -1.0 2.0
   62    52    60    33   0.17400  1.0 3.0
   62    52    60    61  -0.11900  1.0 1.0
   62    52    60    61   0.76850 -1.0 2.0
   62    52    60    61   0.14100  1.0 3.0
   53    40    52    60   7.00000 -1.0 2.0
   53    40    52    62   7.00000 -1.0 2.0
   41    38    40    52   0.50950  1.0 1.0
   41    38    40    52   0.56650 -1.0 2.0
   41    38    40    52   0.34050  1.0 3.0
   41    38    40    53   1.08500 -1.0 2.0
   39    37    38    40   7.00000 -1.0 2.0
   39    37    38    41   7.00000 -1.0 2.0
   39    43    54    55   0.15000  1.0 3.0
   39    43    54    56   0.15000  1.0 3.0
   39    43    54    67   0.56750  1.0 1.0
   39    43    54    67  -0.07550 -1.0 2.0
   39    43    54    67   0.20000  1.0 3.0
   39    46    57    58   7.00000 -1.0 2.0
   39    46    57    59   7.00000 -1.0 2.0
   43    39    46    47   0.00000  1.0 1.0
   43    39    46    57   0.09850  1.0 1.0
   43    39    46    57   0.15250 -1.0 2.0
   43    39    46    57  -0.50650  1.0 3.0
   43    39    48    49   0.15000  1.0 3.0
   43    39    48    50   0.15000  1.0 3.0
   43    39    48    51   0.15000  1.0 3.0
   43    54   -67    33   0.56750  1.0 1.0
   43    54   -67    33  -0.07550 -1.0 2.0
   43    54   -67    33   0.20000  1.0 3.0
   43    54    67    68   0.15000  1.0 3.0
   43    54    67    73   0.34400  1.0 1.0
   43    54    67    73   0.09450 -1.0 2.0
   43    54    67    73   0.11100  1.0 3.0
   44    43    54    55   0.15000  1.0 3.0
   44    43    54    56   0.15000  1.0 3.0
   44    43    54    67   0.15000  1.0 3.0
   45    43    54    55   0.15000  1.0 3.0
   45    43    54    56   0.15000  1.0 3.0
   45    43    54    67   0.15000  1.0 3.0
   54    67    73    74   0.09850  1.0 1.0
   54    67    73    74   0.15250 -1.0 2.0
   54    67    73    74  -0.50650  1.0 3.0
   54    67    73    77   0.46850  1.0 1.0
   54    67    73    77   0.08550 -1.0 2.0
   54    67    73    77   0.09800  1.0 3.0
   55    54    67    33   0.15000  1.0 3.0
   55    54    67    68   0.15000  1.0 3.0
   55    54    67    73   0.15000  1.0 3.0
   56    54    67    33   0.15000  1.0 3.0
   56    54    67    68   0.15000  1.0 3.0
   56    54    67    73   0.15000  1.0 3.0
   67    33    37    38   0.09850  1.0 1.0
   67    33    37    38   0.15250 -1.0 2.0
   67    33    37    38  -0.50650  1.0 3.0
   67    33   -37    39   0.46850  1.0 1.0
   67    33   -37    39   0.08550 -1.0 2.0
   67    33   -37    39   0.09800  1.0 3.0
   67    33    60    52   0.65300  1.0 1.0
   67    33    60    52  -0.03850 -1.0 2.0
   67    33    60    52   0.33900  1.0 3.0
   67    33    60    61   0.30150 -1.0 2.0
   67    73    74    75   7.00000 -1.0 2.0
   67    73    74    76   7.00000 -1.0 2.0
   67    73    77    78   0.34800  1.0 3.0
   67    73    77    79   0.34800  1.0 3.0
   67    73    77    80   0.34800  1.0 3.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    77   0.34800  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39    43    54   0.34400  1.0 1.0
   46    39    43    54   0.09450 -1.0 2.0
   46    39    43    54   0.11100  1.0 3.0
   46    39    48    49   0.15000  1.0 3.0
   46    39    48    50   0.15000  1.0 3.0
   46    39    48    51   0.15000  1.0 3.0
   47    46    57    58   7.00000 -1.0 2.0
   47    46    57    59   7.00000 -1.0 2.0
   48    39    43    44   0.15000  1.0 3.0
   48    39    43    45   0.15000  1.0 3.0
   48    39    43    54   0.56750  1.0 1.0
   48    39    43    54  -0.07550 -1.0 2.0
   48    39    43    54   0.20000  1.0 3.0
   48    39    46    47   0.00000  1.0 1.0
   48    39    46    57   0.09850  1.0 1.0
   48    39    46    57   0.15250 -1.0 2.0
   48    39    46    57  -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    39    37    38   1.10000 -1.0 2.0
   40    41    38    37   1.10000 -1.0 2.0
   38    53    40    52   1.10000 -1.0 2.0
   60    62    52    40   1.10000 -1.0 2.0
   33    52    60    61  10.50000 -1.0 2.0
   67    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
   39    47    46    57  15.00000 -1.0 2.0
   58    59    57    46  15.00000 -1.0 2.0
END
