* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.94626    96.97055   -19.70461
    2     1 S   H    _HN1     2     1.02956    82.62118    30.13261
    3     1 S   H    _H1_     3     1.02836    46.85334   151.56304
    4     1 S   H    _H2_     4     1.02767    78.85388   -80.40848
    5     1 S   CT   _CA1     5     1.50215   157.40233   157.05720
    6     5 S   HC   _HA1     6     1.09548   105.17024    55.23789
    7     5 S   CO3  _C1_     7     1.54040   112.60556   -64.87886
    8     7 S   O2Z  _O11     8     1.26391   114.91414   -28.90986
    9     7 S   O2Z  _O12     9     1.26291   115.24400   150.45399
   10     5 S   CT   _CB1    10     1.53188   107.41949   173.69780
   11    10 S   HC   HB11    11     1.09814   109.94576   -42.61039
   12    10 S   HC   HB12    12     1.09822   110.13908    74.20707
   13    10 S   CT   _CG1    13     1.52922   112.53802  -163.45116
   14    13 S   HC   HG11    14     1.09360   110.60733   -57.15768
   15    13 S   HC   HG12    15     1.09642   110.01060    61.85977
   16    13 S   C    _CD1    16     1.51717   112.56845  -177.68666
   17    16 S   O    _OE1    17     1.22683   123.35028   -10.62412
   18    16 S   N    _N2_    18     1.38580   111.34754   169.96652
   19    18 S   H    _HN2    19     1.01583   118.92615     1.47949
   20    18 S   CT1  _CA2    20     1.46101   123.69772  -178.32299
   21    20 S   HC   _HA2    21     1.09724   109.51475   -10.79873
   22    20 S   C    _C2_    22     1.53429   108.19725  -126.53622
   23    22 S   O    _O2_    23     1.23012   122.28170  -145.10367
   24    20 S   CT   _CB2    32     1.53319   111.01145   111.42870
   25    24 S   HC   HB21    33     1.09587   109.90664    52.43160
   26    24 S   HC   HB22    34     1.09511   110.60181   171.54297
   27    22 S   N    _N3_    24     1.38521   113.35817    42.23065
   28    27 S   H    _HN3    25     1.01524   118.92231    -0.56023
   29    24 S   S    _SG2    35     1.82787   111.84596   -69.02927
   30    27 S   CT   _CA3    26     1.45449   123.46259   175.20245
   31    30 S   HC   HA31    27     1.09521   109.27199    23.87725
   32    30 S   HC   HA32    28     1.09497   107.11716   140.87753
   33    29 S   CT   _C10    36     1.85012    99.22437   167.76288
   34    33 S   HC   _H4_    37     1.09706   105.97648    23.86791
   35    30 S   CO3  _C3_    29     1.52915   113.07193   -99.62841
   36    35 S   O2Z  _O31    30     1.26404   115.38203   -45.30845
   37    35 S   O2Z  _O32    31     1.26351   114.99961   135.62254
   38    33 S   CT   _C9_    38     1.54551   108.33895   -92.03435
   39    38 S   HC   _H14    39     1.09530   107.86151   163.16942
   40    38 S   HC   _H15    40     1.09584   109.61055    49.08925
   41    38 S   CT   _C8_    41     1.54606   113.82719   -75.34839
   42    41 S   HC   _H3_    42     1.09903   108.14343    59.73358
   43    41 S   CT   _C7_    43     1.54415   109.71924   -54.36200
   44    43 S   HC   _H12    44     1.09485   110.42814   -67.08653
   45    43 S   HC   _H13    45     1.09637   110.25556   175.77006
   46    41 S   CT   _C11    55     1.58363   114.58742   177.98734
   47    43 S   CT   _C6_    46     1.53048   112.39388    55.22929
   48    47 S   HC   _H10    47     1.09808   107.99588    68.41355
   49    47 S   HC   _H11    48     1.09775   108.68820  -177.14131
   50    46 S   CT   _C12    56     1.55376   111.68732   -57.10584
   51    50 S   HC   _H5_    57     1.09575   110.37210    74.55244
   52    46 S   CT   _C18    76     1.54132   110.31555    65.99339
   53    52 S   HC   _H25    77     1.09118   112.44125  -169.56794
   54    52 S   HC   _H26    78     1.09467   111.48943    71.20546
   55    52 S   HC   _H27    79     1.09311   112.14650   -50.96825
   56    33 S   CT   _C5_    49     1.55083   112.56797   142.37211
   57    56 S   Br   Br2_    50     2.01149   107.11457  -163.96721
   58    50 S   CT   _C13    58     1.52940   112.35520  -163.33285
   59    58 S   HC   _H16    59     1.09779   109.55393   174.74424
   60    58 S   HC   _H17    60     1.09538   110.63028   -68.50680
   61    50 S   OH   _O34    74     1.43126   109.76397   -42.90397
   62    61 S   HO   _H24    75     0.97397   108.16606  -168.23660
   63    56 S   CT   _C4_    51     1.53864   114.09538   -49.40084
   64    63 S   HC   _H7_    52     1.09627   111.35590   -50.66022
   65    63 S   HC   _H8_    53     1.09686   111.47274  -170.53878
   66    63 S   HC   _H9_    54     1.09488   111.93707    70.29871
   67    58 S   CT   _C14    61     1.52343   109.78990    54.52834
   68    67 S   Br   Br1_    62     1.95716   108.80376   178.32778
   69    67 S   HC   _H6_    63     1.09555   108.25126    65.96683
   70    67 S   CT   _C15    64     1.53927   112.55845   -55.12522
   71    46 S   OS   _O33    65     1.44412   103.78778  -175.93977
   72    70 S   CT   _C16    66     1.53729   115.14756   -75.95923
   73    72 S   HC   _H18    67     1.09590   110.86085   162.19033
   74    72 S   HC   _H19    68     1.09190   112.43717    42.12568
   75    72 S   HC   _H20    69     1.09565   111.88983   -77.65825
   76    70 S   CT   _C17    70     1.54291   109.75582   162.96221
   77    76 S   HC   _H21    71     1.09686   110.66929  -175.30706
   78    76 S   HC   _H22    72     1.09421   112.56123    63.63547
   79    76 S   HC   _H23    73     1.09655   110.80794   -57.90199
  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  10   5   4   3
  17   8   2   1   1  15   6   5  19   8  12   6   5  17   8   4
   3  15   8   7   3   2   1   5   4  11   6   5   3   1   3   2
   1   1  12   5   4   9   8   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    57    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    49    56    57    63    64    65    66    46  
   38    39    40    41    47    56    57    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    56    57    63    46    50    71    52  
   40    41    42    43    56    46  
   41    42    43    56    46  
   42    43    44    45    47    48    49    56    46    50    51    58    70    71    61    52    53    54    55  
   43    44    45    47    46    50    71    52  
   44    45    47    48    49    56    57    63    46    50    71    52  
   45    47    48    49    56    46  
   47    48    49    56    46  
   50    51    58    59    60    67    70    71    72    76    61    62    52    53    54    55    47  
   48    49    56    57    63    64    65    66  
   49    56    57    63  
   56    57    63  
   51    58    59    60    67    68    69    70    71    61    62    52    53    54    55  
   58    59    60    67    71    61    62    52  
   53    54    55    58    61    70    71  
   54    55    71  
   55    71  
   71  
   57    63    64    65    66  
   63    64    65    66  
   59    60    67    68    69    70    71    72    76    61    62  
   60    67    68    69    70    61  
   67    68    69    70    61  
   62    67    71  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75    76    77    78    79  
   69    70    71    72    76  
   70    71    72    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    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   0.218000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.127600   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   58   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.069500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.053000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   69   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   245.000  1.990
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   268.000  1.529
   46    71   320.000  1.410
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   245.000  1.990
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    70.00000  109.17700
   33    56    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    50    58.35000  112.70000
   41    46    71    50.00000  109.50000
   41    46    52    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    56    57    70.00000  109.17700
   47    56    63    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   63    56    57    70.00000  109.17700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    61    50.00000  109.50000
   46    71    70    60.00000  109.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    67    58.35000  112.70000
   50    61    62    55.00000  108.50000
   58    50    51    37.50000  110.70000
   58    67    68    70.00000  109.17700
   58    67    69    37.50000  110.70000
   58    67    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   67    70    76    58.35000  112.70000
   69    67    68    51.00000  107.60000
   70    67    68    70.00000  109.17700
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   71    46    50    50.00000  109.50000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    71    50.00000  109.50000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    50    51    35.00000  109.50000
   61    50    58    50.00000  109.50000
   52    46    50    58.35000  112.70000
   52    46    71    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    63   0.44750  1.0 1.0
   29    33    56    63  -0.17800 -1.0 2.0
   29    33    56    63   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    56    63    64   0.15000  1.0 3.0
   33    56    63    65   0.15000  1.0 3.0
   33    56    63    66   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.39750  1.0 3.0
   34    33    56    63   0.15000  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    57   0.74700  1.0 1.0
   38    33    56    57  -0.19600 -1.0 2.0
   38    33    56    57   0.19200  1.0 3.0
   38    33    56    63   0.56750  1.0 1.0
   38    33    56    63  -0.07550 -1.0 2.0
   38    33    56    63   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    50   0.56750  1.0 1.0
   38    41    46    50  -0.07550 -1.0 2.0
   38    41    46    50   0.20000  1.0 3.0
   38    41    46    71   0.62750  1.0 1.0
   38    41    46    71  -0.30950 -1.0 2.0
   38    41    46    71   0.27300  1.0 3.0
   38    41    46    52   0.56750  1.0 1.0
   38    41    46    52  -0.07550 -1.0 2.0
   38    41    46    52   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    49   0.15000  1.0 3.0
   41    43    47    56   0.56750  1.0 1.0
   41    43    47    56  -0.07550 -1.0 2.0
   41    43    47    56   0.20000  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    58   0.56750  1.0 1.0
   41    46    50    58  -0.07550 -1.0 2.0
   41    46    50    58   0.20000  1.0 3.0
   41    46    50    61   0.86500  1.0 1.0
   41    46    50    61  -0.17500 -1.0 2.0
   41    46    50    61   0.20800  1.0 3.0
   41    46    71    70   0.06250  1.0 1.0
   41    46    71    70  -0.01100 -1.0 2.0
   41    46    71    70   0.28050  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    55   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    71   0.23400  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   43    41    46    71   0.62750  1.0 1.0
   43    41    46    71  -0.30950 -1.0 2.0
   43    41    46    71   0.27300  1.0 3.0
   43    41    46    52   0.56750  1.0 1.0
   43    41    46    52  -0.07550 -1.0 2.0
   43    41    46    52   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    57   0.74700  1.0 1.0
   43    47    56    57  -0.19600 -1.0 2.0
   43    47    56    57   0.19200  1.0 3.0
   43    47    56    63   0.56750  1.0 1.0
   43    47    56    63  -0.07550 -1.0 2.0
   43    47    56    63   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    56   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    56   0.15000  1.0 3.0
   47    56    63    64   0.15000  1.0 3.0
   47    56    63    65   0.15000  1.0 3.0
   47    56    63    66   0.15000  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.39750  1.0 3.0
   48    47    56    63   0.15000  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.39750  1.0 3.0
   49    47    56    63   0.15000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   57    56    63    64   0.39750  1.0 3.0
   57    56    63    65   0.39750  1.0 3.0
   57    56    63    66   0.39750  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    47   0.56750  1.0 1.0
   46    41    43    47  -0.07550 -1.0 2.0
   46    41    43    47   0.20000  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    67   0.56750  1.0 1.0
   46    50    58    67  -0.07550 -1.0 2.0
   46    50    58    67   0.20000  1.0 3.0
   46    50    61    62  -0.11600  1.0 1.0
   46    50    61    62  -0.09450 -1.0 2.0
   46    50    61    62   0.21250  1.0 3.0
   50    46    71    70   0.06250  1.0 1.0
   50    46    71    70  -0.01100 -1.0 2.0
   50    46    71    70   0.28050  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   50    58    67    68   0.74700  1.0 1.0
   50    58    67    68  -0.19600 -1.0 2.0
   50    58    67    68   0.19200  1.0 3.0
   50    58    67    69   0.15000  1.0 3.0
   50    58   -67    70   0.56750  1.0 1.0
   50    58   -67    70  -0.07550 -1.0 2.0
   50    58   -67    70   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    67   0.15000  1.0 3.0
   51    50    61    62   0.19450  1.0 3.0
   58    50    61    62  -0.11600  1.0 1.0
   58    50    61    62  -0.09450 -1.0 2.0
   58    50    61    62   0.21250  1.0 3.0
   58    67    70    71   0.62750  1.0 1.0
   58    67    70    71  -0.30950 -1.0 2.0
   58    67    70    71   0.27300  1.0 3.0
   58    67    70    72   0.56750  1.0 1.0
   58    67    70    72  -0.07550 -1.0 2.0
   58    67    70    72   0.20000  1.0 3.0
   58    67    70    76   0.56750  1.0 1.0
   58    67    70    76  -0.07550 -1.0 2.0
   58    67    70    76   0.20000  1.0 3.0
   59    58    67    68   0.39750  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   60    58    67    68   0.39750  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   67    70   -71    46   0.06250  1.0 1.0
   67    70   -71    46  -0.01100 -1.0 2.0
   67    70   -71    46   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   67    70    76    77   0.15000  1.0 3.0
   67    70    76    78   0.15000  1.0 3.0
   67    70    76    79   0.15000  1.0 3.0
   68    67    70    71   0.56750  1.0 1.0
   68    67    70    71  -0.07550 -1.0 2.0
   68    67    70    71   0.20000  1.0 3.0
   68    67    70    72   0.74700  1.0 1.0
   68    67    70    72  -0.19600 -1.0 2.0
   68    67    70    72   0.19200  1.0 3.0
   68    67    70    76   0.74700  1.0 1.0
   68    67    70    76  -0.19600 -1.0 2.0
   68    67    70    76   0.19200  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    76   0.15000  1.0 3.0
   71    46    50    51   0.23400  1.0 3.0
   71    46   -50    58   0.62750  1.0 1.0
   71    46   -50    58  -0.30950 -1.0 2.0
   71    46   -50    58   0.27300  1.0 3.0
   71    46    50    61   3.69350  1.0 1.0
   71    46    50    61  -1.82950 -1.0 2.0
   71    46    52    53   0.23400  1.0 3.0
   71    46    52    54   0.23400  1.0 3.0
   71    46    52    55   0.23400  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   71    70    76    77   0.23400  1.0 3.0
   71    70    76    78   0.23400  1.0 3.0
   71    70    76    79   0.23400  1.0 3.0
   72    70    71    46   0.06250  1.0 1.0
   72    70    71    46  -0.01100 -1.0 2.0
   72    70    71    46   0.28050  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    71    46   0.06250  1.0 1.0
   76    70    71    46  -0.01100 -1.0 2.0
   76    70    71    46   0.28050  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   61    50    58    59   0.23400  1.0 3.0
   61    50    58    60   0.23400  1.0 3.0
   61    50    58    67   0.86500  1.0 1.0
   61    50    58    67  -0.17500 -1.0 2.0
   61    50    58    67   0.20800  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   0.56750  1.0 1.0
   52    46    50    58  -0.07550 -1.0 2.0
   52    46    50    58   0.20000  1.0 3.0
   52    46    50    61   0.86500  1.0 1.0
   52    46    50    61  -0.17500 -1.0 2.0
   52    46    50    61   0.20800  1.0 3.0
   52    46    71    70   0.06250  1.0 1.0
   52    46    71    70  -0.01100 -1.0 2.0
   52    46    71    70   0.28050  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
END
