* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    160    264     482
    1     0 S   NP   _N1_     1    29.10096    93.53631   -26.42457
    2     1 S   H    _HN1     2     1.02788   120.77502   -97.50058
    3     1 S   H    _H1_     3     1.02949    87.34583    12.34480
    4     1 S   H    _H2_     4     1.02828    20.46069  -152.52051
    5     1 S   CT   _CA1     5     1.50110   114.46512   123.59166
    6     5 S   HC   _HA1     6     1.09572   105.19771    81.06514
    7     5 S   CO3  _C1_     7     1.53789   112.47389   -39.18513
    8     7 S   O2Z  _O11     8     1.26372   115.00859   -42.48855
    9     7 S   O2Z  _O12     9     1.26241   114.94862   136.66227
   10     5 S   CT   _CB1    10     1.53078   107.42049  -160.94056
   11    10 S   HC   HB11    11     1.09833   109.38290   -49.64961
   12    10 S   HC   HB12    12     1.09813   110.44401    66.96329
   13    10 S   CT   _CG1    13     1.52988   112.60015  -170.62030
   14    13 S   HC   HG11    14     1.09581   110.63809   -65.54738
   15    13 S   HC   HG12    15     1.09669   109.78037    53.68646
   16    13 S   C    _CD1    16     1.51795   112.21879   174.15608
   17    16 S   O    _OE1    17     1.22729   123.27190     7.08075
   18    16 S   N    _N2_    18     1.38644   111.66646  -172.95842
   19    18 S   H    _HN2    19     1.01566   118.93950     1.88242
   20    18 S   CT1  _CA2    20     1.46258   123.45367   177.75049
   21    20 S   HC   _HA2    21     1.09738   109.38512     4.69644
   22    20 S   C    _C2_    22     1.53601   108.40982  -110.80281
   23    22 S   O    _O2_    23     1.23053   122.37377  -146.19315
   24    20 S   CT   _CB2    32     1.53543   111.62166   126.75077
   25    24 S   HC   HB21    33     1.09473   109.34371    56.39234
   26    24 S   HC   HB22    34     1.09324   109.53754   175.32622
   27    22 S   N    _N3_    24     1.38361   113.68786    41.11057
   28    27 S   H    _HN3    25     1.01569   119.60254    -2.94125
   29    24 S   S    _SG2    35     1.83056   110.97893   -63.97643
   30    27 S   CT   _CA3    26     1.45285   123.21576   177.29332
   31    30 S   HC   HA31    27     1.09548   107.48370   -65.34833
   32    30 S   HC   HA32    28     1.09556   108.01994    51.09882
   33    29 S   CT   _C10    36     1.89750   103.14379  -171.53527
   34    30 S   CO3  _C3_    29     1.52964   114.07756   173.11935
   35    34 S   O2Z  _O31    30     1.26376   116.07451    -0.66617
   36    34 S   O2Z  _O32    31     1.26427   114.41254   179.39769
   37    33 S   CM   _C9_    37     1.52188   105.59255    65.66536
   38    37 S   HC   _H12    38     1.09068   116.04672   -81.90696
   39    33 S   CT   _C11    70     1.54619   107.81589   -52.24577
   40    39 S   HC   _H13    71     1.09654   111.29559    64.16547
   41    39 S   HC   _H14    72     1.09754   110.66129   -53.90617
   42    37 S   CMA  _C8_    39     1.34871   126.84598    99.01159
   43    42 S   OM   _O34    40     1.26219   129.25230   178.95977
   44    42 S   CT   _C7_    41     1.52097   119.51535    -1.37544
   45    44 S   HC   _H10    42     1.09847   108.89767   116.63382
   46    44 S   HC   _H11    43     1.10044   110.26228  -127.68366
   47    44 S   CT   _C6_    44     1.53577   115.52889    -6.28007
   48    47 S   HC   _H8_    45     1.09745   109.43859   163.05719
   49    47 S   HC   _H9_    46     1.09810   107.81100   -84.52823
   50    33 S   CT   _C5_    47     1.59386   110.91646  -174.23357
   51    50 S   CM   _C14    48     1.56148   111.83658   166.07699
   52    50 S   CT   _C4_    77     1.55471   112.70878    48.48216
   53    52 S   HC   _H5_    78     1.09490   112.39933   -68.23100
   54    52 S   HC   _H6_    79     1.09758   110.96527   173.19969
   55    52 S   HC   _H7_    80     1.09471   112.29860    53.24937
   56    51 S   CM   _C15    49     1.35646   123.72357   139.83151
   57    56 S   HC   _H17    50     1.08433   120.90437    -3.05889
   58    51 S   CT   _C13    65     1.53866   116.07881   -44.63723
   59    58 S   HC   _H3_    66     1.09770   107.92673   -69.96882
   60    56 S   CT   _C16    51     1.51358   125.66752   173.31288
   61    60 S   HC   _H18    52     1.09705   108.82156   105.81765
   62    60 S   HC   _H19    53     1.09691   109.14476  -138.63076
   63    58 S   CT   _C12    67     1.52778   111.63504    48.48977
   64    63 S   HC   _H15    68     1.09682   109.78617  -174.38961
   65    63 S   HC   _H16    69     1.09743   110.59870    68.58980
   66    60 S   CT   _C17    54     1.52487   111.11591   -17.15276
   67    66 S   CO4  _C21    55     1.51659   116.53684   158.60939
   68    67 S   O    _O33    56     1.22396   124.64582    42.93728
   69    66 S   CT   _C22    73     1.53951   111.41815   -77.84720
   70    69 S   HC   _H24    74     1.09410   112.64071    57.39532
   71    69 S   HC   _H25    75     1.09680   110.23232   -62.33936
   72    69 S   HC   _H26    76     1.09510   112.30179   179.16070
   73    67 S   CT   _C20    57     1.51832   111.47067  -138.27233
   74    73 S   HC   _H22    58     1.09378   108.81749   116.91748
   75    73 S   HC   _H23    59     1.09204   111.08279  -120.71037
   76    73 S   CT   _C19    60     1.53480   103.03032    -1.06202
   77    76 S   HC   _H20    61     1.09430   111.07300   147.46026
   78    76 S   HC   _H21    62     1.09544   110.92316   -92.78146
   79    66 S   CT   _C18    63     1.53853   106.80057    49.31814
   80    79 S   HC   _H4_    64     1.10478   108.27319    49.95341
  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  12   5   4   3
  22   2   1   1  14   5  13   6   5   8   4   8   5   4  10   4
   3  12  18   5   2   1   1  11   5  14   7  13   5   4   6   2
   1  14  13   6   7   3   2   1   7   5   4   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    63    39    40    41    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    56    58    63    64    65    39    40    41    52    53    54    55  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    63    39    40    41    52  
   42    43    44    50    39  
   40    41    52    42    47    50    51    58    59    63    64    65    79  
   41    50    58    63    64    65  
   50    58    63    64    65  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    56    58    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    56    57    60    79    58    59    63    52    53    54    55  
   56    57    60    61    62    66    76    79    80    58    59    63    64    65    52    53    54    55  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    66    67    79    58    59    63    69  
   60    61    62    66    58  
   59    63    64    65    69    60    66    67    73    76    77    78    79    80  
   63    64    65    66    76    79    80  
   61    62    66    67    68    73    76    79    80    69    70    71    72  
   62    66    67    79    69  
   66    67    79    69  
   64    65    66    76    79    80  
   65    79  
   79  
   67    68    73    74    75    76    77    78    79    80    69    70    71    72  
   68    73    74    75    76    77    78    79    80    69    70    71    72  
   73    74    75    76    79    69  
   70    71    72    73    76    79    80  
   71    72    79  
   72    79  
   79  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80  
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   317.000  1.510
   50    52   268.000  1.529
   51    56   549.000  1.340
   51    58   317.000  1.510
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   317.000  1.522
   66    79   268.000  1.529
   66    69   268.000  1.529
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    58   268.000  1.529
   58    59   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   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    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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    70.00000  112.02700
   33    50    52    58.35000  112.70000
   33    39    63    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    70.00000  112.02700
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    56    70.00000  124.00000
   50    51    58    65.00000  117.92700
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    37.50000  110.70000
   51    56    57    35.00000  120.00000
   51    56    60    70.00000  124.00000
   51    58    79    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    63    70.00000  112.02700
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    70.00000  112.02700
   60    56    57    35.00000  117.00000
   60    66    67    63.00000  111.10000
   60    66    79    58.35000  112.70000
   60    66    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    67    68    80.00000  120.40000
   66    67    73    70.00000  116.00000
   66    79    76    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    58    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    63.00000  111.10000
   73    67    68    80.00000  120.40000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    58    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    66    67    63.00000  111.10000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    58    59    37.50000  110.70000
   79    58    63    58.35000  112.70000
   58    51    56    70.00000  124.00000
   58    79    80    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    39    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    39    40    37.50000  110.70000
   63    39    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    63    64    37.50000  110.70000
   39    63    65    37.50000  110.70000
   41    39    40    33.00000  107.80000
   69    66    67    63.00000  111.10000
   69    66    79    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
   52    50    51    70.00000  112.02700
   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    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.56750  1.0 1.0
   29    33    50    51  -0.07550 -1.0 2.0
   29    33    50    51   0.20000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    51    56   0.09850  1.0 1.0
   33    50    51    56   0.15250 -1.0 2.0
   33    50    51    56  -0.50650  1.0 3.0
   33    50    51    58   0.46850  1.0 1.0
   33    50    51    58   0.08550 -1.0 2.0
   33    50    51    58   0.09800  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55   0.15000  1.0 3.0
   37    33    50    47   0.34400  1.0 1.0
   37    33    50    47   0.09450 -1.0 2.0
   37    33    50    47   0.11100  1.0 3.0
   37    33    50    51   0.31000  1.0 1.0
   37    33    50    51   0.14700 -1.0 2.0
   37    33    50    51   0.07550  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    39    63   0.34400  1.0 1.0
   37    33    39    63   0.09450 -1.0 2.0
   37    33    39    63   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.56750  1.0 1.0
   44    47   -50    33  -0.07550 -1.0 2.0
   44    47   -50    33   0.20000  1.0 3.0
   44    47    50    51   0.34400  1.0 1.0
   44    47    50    51   0.09450 -1.0 2.0
   44    47    50    51   0.11100  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    56   0.09850  1.0 1.0
   47    50    51    56   0.15250 -1.0 2.0
   47    50    51    56  -0.50650  1.0 3.0
   47    50    51    58   0.46850  1.0 1.0
   47    50    51    58   0.08550 -1.0 2.0
   47    50    51    58   0.09800  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   0.15000  1.0 3.0
   47    50    52    55   0.15000  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   49    47    50    33   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    63   0.56750  1.0 1.0
   50    33    39    63  -0.07550 -1.0 2.0
   50    33    39    63   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    56    57   7.00000 -1.0 2.0
   50    51    56    60   7.00000 -1.0 2.0
   50    51    58    79   0.46850  1.0 1.0
   50    51    58    79   0.08550 -1.0 2.0
   50    51    58    79   0.09800  1.0 3.0
   50    51    58    59   0.34800  1.0 3.0
   50    51   -58    63   0.46850  1.0 1.0
   50    51   -58    63   0.08550 -1.0 2.0
   50    51   -58    63   0.09800  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    66   0.09850  1.0 1.0
   51    56    60    66   0.15250 -1.0 2.0
   51    56    60    66  -0.50650  1.0 3.0
   51    58    63    64   0.15000  1.0 3.0
   51    58    63    65   0.15000  1.0 3.0
   51    58    63    39   0.34400  1.0 1.0
   51    58    63    39   0.09450 -1.0 2.0
   51    58    63    39   0.11100  1.0 3.0
   56    51    58    79   0.09850  1.0 1.0
   56    51    58    79   0.15250 -1.0 2.0
   56    51    58    79  -0.50650  1.0 3.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    63   0.09850  1.0 1.0
   56    51    58    63   0.15250 -1.0 2.0
   56    51    58    63  -0.50650  1.0 3.0
   56    60    66    67  -0.98800  1.0 1.0
   56    60    66    67   0.48800 -1.0 2.0
   56    60    66    67   0.76800  1.0 3.0
   56    60   -66    79   0.34400  1.0 1.0
   56    60   -66    79   0.09450 -1.0 2.0
   56    60   -66    79   0.11100  1.0 3.0
   56    60    66    69   0.34400  1.0 1.0
   56    60    66    69   0.09450 -1.0 2.0
   56    60    66    69   0.11100  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    62   0.33100  1.0 3.0
   57    56    60    66   0.00000  1.0 1.0
   60    66    67    68   0.30150 -1.0 2.0
   60    66    67    73   0.60050  1.0 1.0
   60    66    67    73   0.05600 -1.0 2.0
   60    66    67    73   0.26150  1.0 3.0
   60    66    79    76   0.56750  1.0 1.0
   60    66    79    76  -0.07550 -1.0 2.0
   60    66    79    76   0.20000  1.0 3.0
   60    66    79    80   0.15000  1.0 3.0
   60    66    79    58   0.56750  1.0 1.0
   60    66    79    58  -0.07550 -1.0 2.0
   60    66    79    58   0.20000  1.0 3.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    71   0.15000  1.0 3.0
   60    66    69    72   0.15000  1.0 3.0
   61    60    66    67  -0.11250  1.0 3.0
   61    60    66    79   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67  -0.11250  1.0 3.0
   62    60    66    79   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.00000  1.0 1.0
   66    67   -73    76   0.60050  1.0 1.0
   66    67   -73    76   0.05600 -1.0 2.0
   66    67   -73    76   0.26150  1.0 3.0
   66    79   -58    51   0.34400  1.0 1.0
   66    79   -58    51   0.09450 -1.0 2.0
   66    79   -58    51   0.11100  1.0 3.0
   66    79    58    59   0.15000  1.0 3.0
   66    79    58    63   0.56750  1.0 1.0
   66    79    58    63  -0.07550 -1.0 2.0
   66    79    58    63   0.20000  1.0 3.0
   67    66   -79    76  -0.95700  1.0 1.0
   67    66   -79    76  -0.18200 -1.0 2.0
   67    66   -79    76   0.29450  1.0 3.0
   67    66    79    80  -0.11250  1.0 3.0
   67    66    79    58  -0.95700  1.0 1.0
   67    66    79    58  -0.18200 -1.0 2.0
   67    66    79    58   0.29450  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    71  -0.11250  1.0 3.0
   67    66    69    72  -0.11250  1.0 3.0
   67    73    76    77  -0.11250  1.0 3.0
   67    73    76    78  -0.11250  1.0 3.0
   67    73   -76    79  -0.95700  1.0 1.0
   67    73   -76    79  -0.18200 -1.0 2.0
   67    73   -76    79   0.29450  1.0 3.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.00000  1.0 1.0
   68    67    73    76   0.30150 -1.0 2.0
   73    76   -79    66   0.56750  1.0 1.0
   73    76   -79    66  -0.07550 -1.0 2.0
   73    76   -79    66   0.20000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    58   0.56750  1.0 1.0
   73    76    79    58  -0.07550 -1.0 2.0
   73    76    79    58   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    58    51   0.34400  1.0 1.0
   76    79    58    51   0.09450 -1.0 2.0
   76    79    58    51   0.11100  1.0 3.0
   76    79    58    59   0.15000  1.0 3.0
   76    79    58    63   0.56750  1.0 1.0
   76    79    58    63  -0.07550 -1.0 2.0
   76    79    58    63   0.20000  1.0 3.0
   77    76    79    66   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    58   0.15000  1.0 3.0
   78    76    79    66   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    58   0.15000  1.0 3.0
   79    66    67    68   0.30150 -1.0 2.0
   79    66   -67    73   0.60050  1.0 1.0
   79    66   -67    73   0.05600 -1.0 2.0
   79    66   -67    73   0.26150  1.0 3.0
   79    66    69    70   0.15000  1.0 3.0
   79    66    69    71   0.15000  1.0 3.0
   79    66    69    72   0.15000  1.0 3.0
   79    58    63    64   0.15000  1.0 3.0
   79    58    63    65   0.15000  1.0 3.0
   79    58    63    39   0.56750  1.0 1.0
   79    58    63    39  -0.07550 -1.0 2.0
   79    58    63    39   0.20000  1.0 3.0
   80    79    58    51   0.15000  1.0 3.0
   80    79    58    59   0.15000  1.0 3.0
   80    79    58    63   0.15000  1.0 3.0
   58    51    56    57   7.00000 -1.0 2.0
   58    51   -56    60   7.00000 -1.0 2.0
   58    63   -39    33   0.56750  1.0 1.0
   58    63   -39    33  -0.07550 -1.0 2.0
   58    63   -39    33   0.20000  1.0 3.0
   58    63    39    40   0.15000  1.0 3.0
   58    63    39    41   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    39   0.15000  1.0 3.0
   64    63    39    33   0.15000  1.0 3.0
   64    63    39    40   0.15000  1.0 3.0
   64    63    39    41   0.15000  1.0 3.0
   65    63    39    33   0.15000  1.0 3.0
   65    63    39    40   0.15000  1.0 3.0
   65    63    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.34400  1.0 1.0
   39    33   -50    51   0.09450 -1.0 2.0
   39    33   -50    51   0.11100  1.0 3.0
   39    33    50    52   0.56750  1.0 1.0
   39    33    50    52  -0.07550 -1.0 2.0
   39    33    50    52   0.20000  1.0 3.0
   69    66    67    68   0.30150 -1.0 2.0
   69    66    67    73   0.60050  1.0 1.0
   69    66    67    73   0.05600 -1.0 2.0
   69    66    67    73   0.26150  1.0 3.0
   69    66    79    76   0.56750  1.0 1.0
   69    66    79    76  -0.07550 -1.0 2.0
   69    66    79    76   0.20000  1.0 3.0
   69    66    79    80   0.15000  1.0 3.0
   69    66    79    58   0.56750  1.0 1.0
   69    66    79    58  -0.07550 -1.0 2.0
   69    66    79    58   0.20000  1.0 3.0
   52    50    51    56   0.09850  1.0 1.0
   52    50    51    56   0.15250 -1.0 2.0
   52    50    51    56  -0.50650  1.0 3.0
   52    50    51    58   0.46850  1.0 1.0
   52    50    51    58   0.08550 -1.0 2.0
   52    50    51    58   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   50    58    51    56   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   66    73    67    68  10.50000 -1.0 2.0
END
