* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    230     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02099    98.13354   -53.74085
    3     1 S   H    _H1_     3     1.02103    80.84575    54.02421
    4     1 S   H    _H2_     4     1.02072    35.65979  -164.58990
    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   OS   _O33    36     1.65904    98.50232   159.95384
   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   CT   _C15    37     1.43483   113.48267    79.99416
   38    37 S   HC   _H5_    38     1.13435   104.02833   -49.22569
   39    37 S   CM   _C14    39     1.49759   107.63014  -160.00495
   40    37 S   CT   _C16    54     1.54139   109.23306    65.20211
   41    40 S   HC   _H18    55     1.11069   106.80529  -132.83140
   42    40 S   HC   _H19    56     1.10998   108.44825   -23.74712
   43    39 S   CM   _C13    40     1.34210   130.68739   -90.31591
   44    43 S   HC   _H17    41     1.08614   117.59233  -176.88215
   45    39 S   CO4  _C17    75     1.47737   115.49710    88.61413
   46    45 S   O    _O34    76     1.21606   121.92121     0.81084
   47    45 S   HC   _H20    77     1.09621   114.37999  -179.07507
   48    43 S   CT   _C12    42     1.50372   130.67098    -1.28557
   49    48 S   HC   _H4_    43     1.10869   106.16305  -124.80929
   50    48 S   CT   _C11    44     1.54004   119.15521    -0.88004
   51    48 S   OH   _O35    73     1.43262   107.92640   123.08261
   52    51 S   HO   _H21    74     0.96724   105.81560    59.98639
   53    50 S   CT   _C7_    45     1.57233   115.27641  -172.21570
   54    53 S   HC   _H3_    46     1.10110   109.15336  -103.87804
   55    50 S   OH   _O36    71     1.44160   108.05498    70.88790
   56    55 S   HO   _H22    72     0.96439   105.19664   179.98022
   57    53 S   CT   _C8_    47     1.54015   105.84251   140.54262
   58    57 S   HC   _H13    48     1.09320   111.55478  -106.57697
   59    57 S   HC   _H14    49     1.09221   111.34487   133.49792
   60    53 S   CT   _C5_    61     1.52885   117.74789    17.51124
   61    60 S   HC   _H9_    62     1.09587   108.20256   -58.92352
   62    57 S   CT   _C9_    50     1.51833   105.62352    12.88644
   63    62 S   HC   _H15    51     1.09594   109.76407    85.38473
   64    62 S   HC   _H16    52     1.09489   111.62435  -156.33887
   65    60 S   CT   _C4_    63     1.52673   110.47113    59.63184
   66    65 S   HC   _H6_    64     1.09578   111.36930    61.61987
   67    65 S   HC   _H7_    65     1.09414   110.86709   -58.73874
   68    65 S   HC   _H8_    66     1.09510   110.63781  -178.31507
   69    60 S   CT   _C6_    67     1.52590   110.51421  -177.49861
   70    69 S   HC   _H10    68     1.09555   111.34682   -61.55740
   71    69 S   HC   _H11    69     1.09552   110.69588   178.26190
   72    69 S   HC   _H12    70     1.09458   110.82642    58.68910
   73    50 S   CT   _C10    53     1.55471   114.73506   -49.43160
   74    73 S   CT   _C18    57     1.54738   113.33698   -44.49389
   75    74 S   HC   _H23    58     1.08374   108.95743    68.01757
   76    74 S   HC   _H24    59     1.08230   109.05104   -51.98272
   77    74 S   HC   _H25    60     1.08298   108.98233  -172.08641
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  15   7  13  17   5   4  12   5   3   1   1  13
   6  21   4   1  21  10   6   1  11   6   5  11   8   7   3   2
   7   3   2   1   3   2   1   1   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    73    40    41    42    45  
   35    36  
   36  
    0  
   38    39    43    44    48    50    62    73    40    41    42    74    45    46    47  
   39    43    73    40    41    42    45  
   43    44    48    49    50    73    40    41    42    51    45    46    47  
   41    42    74    75    76    77    55    45    43    48    50    53    57    62    63    64    73  
   42    74    50    62    73  
   74    50    62    73  
   44    48    49    50    53    73    55    51    52    45    46    47  
   48    49    50    51    45  
   46    47    48  
   47  
    0  
   49    50    53    54    57    62    73    74    60    55    56    51    52  
   50    53    73    55    51    52  
   53    54    57    58    59    62    63    64    73    74    75    76    77    60    61    65    69    55    56    51    52  
   52    53    55    73  
    0  
   54    57    58    59    62    63    64    73    74    60    61    65    66    67    68    69    70    71    72    55    56  
   57    58    59    62    73    60    61    65    69    55  
   56    57    60    62    73    74  
   73  
   58    59    62    63    64    73    74    60    61    65    69  
   59    62    63    64    73    60  
   62    63    64    73    60  
   61    65    66    67    68    69    70    71    72    62    73  
   65    66    67    68    69    70    71    72  
   63    64    73    74    75    76    77  
   64    73    74  
   73    74  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   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   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    40   268.000  1.529
   39    43   549.000  1.340
   39    45   320.000  1.462
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    53   268.000  1.529
   50    73   268.000  1.529
   50    55   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    73   268.000  1.529
   73    40   268.000  1.529
   73    74   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   55    56   553.000  0.945
   51    52   553.000  0.945
   45    46   570.000  1.229
   45    47   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    40    50.00000  109.50000
   37    39    43    70.00000  124.00000
   37    39    45    65.00000  116.34900
   37    40    73    58.35000  112.70000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   39    37    38    35.00000  109.50000
   39    43    44    35.00000  120.00000
   39    43    48    70.00000  124.00000
   39    45    46    80.00000  123.72100
   39    45    47    40.00000  115.75000
   43    48    49    35.00000  109.50000
   43    48    50    70.00000  112.02700
   43    48    51    90.00000  110.39200
   48    43    44    35.00000  117.00000
   48    50    53    58.35000  112.70000
   48    50    73    58.35000  112.70000
   48    50    55    50.00000  109.50000
   48    51    52    55.00000  108.50000
   50    48    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    57    58.35000  112.70000
   50    53    60    58.35000  112.70000
   50    73    62    58.35000  112.70000
   50    73    40    58.35000  112.70000
   50    73    74    58.35000  112.70000
   50    55    56    55.00000  108.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    62    58.35000  112.70000
   53    60    61    37.50000  110.70000
   53    60    65    58.35000  112.70000
   53    60    69    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    73    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    73    40    58.35000  112.70000
   62    73    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   73    50    53    58.35000  112.70000
   73    62    63    37.50000  110.70000
   73    62    64    37.50000  110.70000
   73    40    41    37.50000  110.70000
   73    40    42    37.50000  110.70000
   73    74    75    37.50000  110.70000
   73    74    76    37.50000  110.70000
   73    74    77    37.50000  110.70000
   40    37    38    37.50000  110.70000
   40    37    39    70.00000  112.02700
   42    40    41    33.00000  107.80000
   74    73    40    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    57    58.35000  112.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    37.50000  110.70000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    72    37.50000  110.70000
   65    60    61    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    60    61    37.50000  110.70000
   69    60    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   55    50    53    50.00000  109.50000
   55    50    73    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   45    39    43    65.00000  118.96000
   47    45    46    35.00000  123.00000
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    40   0.37500  1.0 3.0
   33    37    39    43   0.39000  1.0 1.0
   33    37    39    43  -0.05800 -1.0 2.0
   33    37    39    43  -0.55150  1.0 3.0
   33    37    39    45   0.09700  1.0 1.0
   33    37    39    45   0.15600 -1.0 2.0
   33    37    39    45  -0.50800  1.0 3.0
   33    37    40    73   0.62750  1.0 1.0
   33    37    40    73  -0.30950 -1.0 2.0
   33    37    40    73   0.27300  1.0 3.0
   33    37    40    41   0.23400  1.0 3.0
   33    37    40    42   0.23400  1.0 3.0
   37    39    43    44   7.00000 -1.0 2.0
   37    39    43    48   7.00000 -1.0 2.0
   37    39    45    46  -0.64400  1.0 1.0
   37    39    45    46   0.26850 -1.0 2.0
   37    39    45    47  -0.07900  1.0 1.0
   37    39    45    47   0.77700 -1.0 2.0
   37    39    45    47   0.13200  1.0 3.0
   38    37    39    43   0.00000  1.0 1.0
   38    37    39    45   0.15000  1.0 3.0
   38    37    40    73   0.15000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   39    37    40    73   0.34400  1.0 1.0
   39    37    40    73   0.09450 -1.0 2.0
   39    37    40    73   0.11100  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    50   0.09850  1.0 1.0
   39    43    48    50   0.15250 -1.0 2.0
   39    43    48    50  -0.50650  1.0 3.0
   39    43    48    51   0.67800  1.0 1.0
   39    43    48    51   0.47050 -1.0 2.0
   39    43    48    51  -0.62500  1.0 3.0
   43    39    45    46   1.00000 -1.0 2.0
   43    39    45    47  -0.79650  1.0 1.0
   43    39    45    47   1.60950 -1.0 2.0
   43    39    45    47  -0.26250  1.0 3.0
   43    48    50    53   0.34400  1.0 1.0
   43    48    50    53   0.09450 -1.0 2.0
   43    48    50    53   0.11100  1.0 3.0
   43    48    50    73   0.34400  1.0 1.0
   43    48    50    73   0.09450 -1.0 2.0
   43    48    50    73   0.11100  1.0 3.0
   43    48    50    55   1.05650  1.0 1.0
   43    48    50    55   0.15600 -1.0 2.0
   43    48    50    55   0.53150  1.0 3.0
   43    48    51    52  -0.07800  1.0 1.0
   43    48    51    52  -0.21500 -1.0 2.0
   43    48    51    52  -0.03150  1.0 3.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    57   0.56750  1.0 1.0
   48    50    53    57  -0.07550 -1.0 2.0
   48    50    53    57   0.20000  1.0 3.0
   48    50    53    60   0.56750  1.0 1.0
   48    50    53    60  -0.07550 -1.0 2.0
   48    50    53    60   0.20000  1.0 3.0
   48    50    73    62   0.56750  1.0 1.0
   48    50    73    62  -0.07550 -1.0 2.0
   48    50    73    62   0.20000  1.0 3.0
   48    50    73    40   0.56750  1.0 1.0
   48    50    73    40  -0.07550 -1.0 2.0
   48    50    73    40   0.20000  1.0 3.0
   48    50    73    74   0.56750  1.0 1.0
   48    50    73    74  -0.07550 -1.0 2.0
   48    50    73    74   0.20000  1.0 3.0
   48    50    55    56  -0.11600  1.0 1.0
   48    50    55    56  -0.09450 -1.0 2.0
   48    50    55    56   0.21250  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    73   0.15000  1.0 3.0
   49    48    50    55   0.23400  1.0 3.0
   49    48    51    52   0.19450  1.0 3.0
   50    48    51    52  -0.11600  1.0 1.0
   50    48    51    52  -0.09450 -1.0 2.0
   50    48    51    52   0.21250  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53   -57    62   0.56750  1.0 1.0
   50    53   -57    62  -0.07550 -1.0 2.0
   50    53   -57    62   0.20000  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    65   0.56750  1.0 1.0
   50    53    60    65  -0.07550 -1.0 2.0
   50    53    60    65   0.20000  1.0 3.0
   50    53    60    69   0.56750  1.0 1.0
   50    53    60    69  -0.07550 -1.0 2.0
   50    53    60    69   0.20000  1.0 3.0
   50    73    40    37   0.56750  1.0 1.0
   50    73    40    37  -0.07550 -1.0 2.0
   50    73    40    37   0.20000  1.0 3.0
   50    73    40    41   0.15000  1.0 3.0
   50    73    40    42   0.15000  1.0 3.0
   50    73    74    75   0.15000  1.0 3.0
   50    73    74    76   0.15000  1.0 3.0
   50    73    74    77   0.15000  1.0 3.0
   53    50   -73    62   0.56750  1.0 1.0
   53    50   -73    62  -0.07550 -1.0 2.0
   53    50   -73    62   0.20000  1.0 3.0
   53    50    73    40   0.56750  1.0 1.0
   53    50    73    40  -0.07550 -1.0 2.0
   53    50    73    40   0.20000  1.0 3.0
   53    50    73    74   0.56750  1.0 1.0
   53    50    73    74  -0.07550 -1.0 2.0
   53    50    73    74   0.20000  1.0 3.0
   53    50    55    56  -0.11600  1.0 1.0
   53    50    55    56  -0.09450 -1.0 2.0
   53    50    55    56   0.21250  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   0.15000  1.0 3.0
   53    57   -62    73   0.56750  1.0 1.0
   53    57   -62    73  -0.07550 -1.0 2.0
   53    57   -62    73   0.20000  1.0 3.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    68   0.15000  1.0 3.0
   53    60    69    70   0.15000  1.0 3.0
   53    60    69    71   0.15000  1.0 3.0
   53    60    69    72   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    62   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    65   0.15000  1.0 3.0
   54    53    60    69   0.15000  1.0 3.0
   57    53    60    61   0.15000  1.0 3.0
   57    53    60    65   0.56750  1.0 1.0
   57    53    60    65  -0.07550 -1.0 2.0
   57    53    60    65   0.20000  1.0 3.0
   57    53    60    69   0.56750  1.0 1.0
   57    53    60    69  -0.07550 -1.0 2.0
   57    53    60    69   0.20000  1.0 3.0
   57    62   -73    50   0.56750  1.0 1.0
   57    62   -73    50  -0.07550 -1.0 2.0
   57    62   -73    50   0.20000  1.0 3.0
   57    62    73    40   0.56750  1.0 1.0
   57    62    73    40  -0.07550 -1.0 2.0
   57    62    73    40   0.20000  1.0 3.0
   57    62    73    74   0.56750  1.0 1.0
   57    62    73    74  -0.07550 -1.0 2.0
   57    62    73    74   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    73   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    73   0.15000  1.0 3.0
   62    73    40    37   0.56750  1.0 1.0
   62    73    40    37  -0.07550 -1.0 2.0
   62    73    40    37   0.20000  1.0 3.0
   62    73    40    41   0.15000  1.0 3.0
   62    73    40    42   0.15000  1.0 3.0
   62    73    74    75   0.15000  1.0 3.0
   62    73    74    76   0.15000  1.0 3.0
   62    73    74    77   0.15000  1.0 3.0
   63    62    73    50   0.15000  1.0 3.0
   63    62    73    40   0.15000  1.0 3.0
   63    62    73    74   0.15000  1.0 3.0
   64    62    73    50   0.15000  1.0 3.0
   64    62    73    40   0.15000  1.0 3.0
   64    62    73    74   0.15000  1.0 3.0
   73    50    53    54   0.15000  1.0 3.0
   73    50   -53    57   0.56750  1.0 1.0
   73    50   -53    57  -0.07550 -1.0 2.0
   73    50   -53    57   0.20000  1.0 3.0
   73    50    53    60   0.56750  1.0 1.0
   73    50    53    60  -0.07550 -1.0 2.0
   73    50    53    60   0.20000  1.0 3.0
   73    50    55    56  -0.11600  1.0 1.0
   73    50    55    56  -0.09450 -1.0 2.0
   73    50    55    56   0.21250  1.0 3.0
   40    37    39    43   0.09850  1.0 1.0
   40    37    39    43   0.15250 -1.0 2.0
   40    37    39    43  -0.50650  1.0 3.0
   40    37    39    45   0.09700  1.0 1.0
   40    37    39    45   0.15600 -1.0 2.0
   40    37    39    45  -0.50800  1.0 3.0
   40    73    74    75   0.15000  1.0 3.0
   40    73    74    76   0.15000  1.0 3.0
   40    73    74    77   0.15000  1.0 3.0
   74    73    40    37   0.56750  1.0 1.0
   74    73    40    37  -0.07550 -1.0 2.0
   74    73    40    37   0.20000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    42   0.15000  1.0 3.0
   60    53    57    58   0.15000  1.0 3.0
   60    53    57    59   0.15000  1.0 3.0
   60    53    57    62   0.56750  1.0 1.0
   60    53    57    62  -0.07550 -1.0 2.0
   60    53    57    62   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    71   0.15000  1.0 3.0
   61    60    69    72   0.15000  1.0 3.0
   65    60    69    70   0.15000  1.0 3.0
   65    60    69    71   0.15000  1.0 3.0
   65    60    69    72   0.15000  1.0 3.0
   69    60    65    66   0.15000  1.0 3.0
   69    60    65    67   0.15000  1.0 3.0
   69    60    65    68   0.15000  1.0 3.0
   55    50    53    54   0.23400  1.0 3.0
   55    50    53    57   0.86500  1.0 1.0
   55    50    53    57  -0.17500 -1.0 2.0
   55    50    53    57   0.20800  1.0 3.0
   55    50    53    60   0.86500  1.0 1.0
   55    50    53    60  -0.17500 -1.0 2.0
   55    50    53    60   0.20800  1.0 3.0
   55    50    73    62   0.86500  1.0 1.0
   55    50    73    62  -0.17500 -1.0 2.0
   55    50    73    62   0.20800  1.0 3.0
   55    50    73    40   0.86500  1.0 1.0
   55    50    73    40  -0.17500 -1.0 2.0
   55    50    73    40   0.20800  1.0 3.0
   55    50    73    74   0.86500  1.0 1.0
   55    50    73    74  -0.17500 -1.0 2.0
   55    50    73    74   0.20800  1.0 3.0
   51    48    50    53   0.86500  1.0 1.0
   51    48    50    53  -0.17500 -1.0 2.0
   51    48    50    53   0.20800  1.0 3.0
   51    48    50    73   0.86500  1.0 1.0
   51    48    50    73  -0.17500 -1.0 2.0
   51    48    50    73   0.20800  1.0 3.0
   51    48    50    55   3.75450  1.0 1.0
   45    39    43    44   7.00000 -1.0 2.0
   45    39    43    48   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    39    43   1.10000 -1.0 2.0
   48    44    43    39   1.10000 -1.0 2.0
   39    47    45    46  10.50000 -1.0 2.0
END
