* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    259     478
    1     0 S   NP   _N1_     1    28.82339    94.41819   -21.47677
    2     1 S   H    _HN1     2     1.02787    91.63575  -109.62347
    3     1 S   H    _H1_     3     1.02942    87.36588    -1.40040
    4     1 S   H    _H2_     4     1.02834    31.86107   128.06464
    5     1 S   CT   _CA1     5     1.50105   142.39000   119.59559
    6     5 S   HC   _HA1     6     1.09585   105.22167    64.41721
    7     5 S   CO3  _C1_     7     1.53866   111.98846   -55.62933
    8     7 S   O2Z  _O11     8     1.26361   115.09259   -54.32589
    9     7 S   O2Z  _O12     9     1.26215   114.87307   124.38487
   10     5 S   CT   _CB1    10     1.53079   107.34389  -177.94272
   11    10 S   HC   HB11    11     1.09829   109.54943   -50.81363
   12    10 S   HC   HB12    12     1.09806   110.45638    65.82118
   13    10 S   CT   _CG1    13     1.52929   112.39958  -171.75064
   14    13 S   HC   HG11    14     1.09530   110.31547   -62.31188
   15    13 S   HC   HG12    15     1.09643   109.95584    56.90893
   16    13 S   C    _CD1    16     1.51762   112.25576   177.80474
   17    16 S   O    _OE1    17     1.22743   123.21745     5.82565
   18    16 S   N    _N2_    18     1.38642   111.73503  -174.84756
   19    18 S   H    _HN2    19     1.01615   118.96439     3.50565
   20    18 S   CT1  _CA2    20     1.46368   123.33193  -178.30742
   21    20 S   HC   _HA2    21     1.09735   109.28358     1.16600
   22    20 S   C    _C2_    22     1.53422   108.79620  -114.52540
   23    22 S   O    _O2_    23     1.23050   122.32946  -147.75781
   24    20 S   CT   _CB2    32     1.53463   111.38322   122.79661
   25    24 S   HC   HB21    33     1.09495   109.48792    59.86662
   26    24 S   HC   HB22    34     1.09450   110.43847   178.49247
   27    22 S   N    _N3_    24     1.38360   113.65654    39.75154
   28    27 S   H    _HN3    25     1.01601   119.54741    -3.72015
   29    24 S   S    _SG2    35     1.82882   110.91072   -61.37551
   30    27 S   CT   _CA3    26     1.45281   123.10768   176.92757
   31    30 S   HC   HA31    27     1.09554   107.55363   -62.88409
   32    30 S   HC   HA32    28     1.09559   107.90771    53.50746
   33    29 S   CT   _C15    36     1.88225   100.29165   160.37659
   34    33 S   HC   _H3_    37     1.09827   106.88524   -16.96006
   35    30 S   CO3  _C3_    29     1.52935   114.17141   175.45683
   36    35 S   O2Z  _O31    30     1.26363   116.08645    -1.15555
   37    35 S   O2Z  _O32    31     1.26435   114.40264   178.89802
   38    33 S   CT   _C13    38     1.57857   113.05926   102.20777
   39    38 S   OM   _O20    39     1.32731   109.42692   -54.92915
   40    38 S   HC   _H32    40     1.09520   107.14311  -179.75371
   41    33 S   CT   _C16    70     1.58234   110.78887  -134.59373
   42    38 S   CT   _C14    41     1.55703   111.15694    65.71493
   43    42 S   HC   _H33    42     1.10037   108.14990   -75.78994
   44    50 S   CT   _C12    71     1.53226   113.83564   -36.70121
   45    44 S   HC   _H31    72     1.09825   110.17930   -81.04140
   46    41 S   CT   _C18    73     1.57036   106.99430   172.57347
   47    46 S   HC   _H35    74     1.09013   114.19737    67.32890
   48    46 S   HC   _H36    75     1.09785   110.11684   -52.90771
   49    46 S   HC   _H37    76     1.09532   113.75622  -171.74947
   50    42 S   CT   _C17    43     1.55306   116.98187    44.71417
   51    42 S   OH   _O25    81     1.43505   110.26078   170.10314
   52    51 S   HO   _H48    82     0.97254   107.39356   -56.11865
   53    50 S   CO4  _C9_    44     1.52536   118.78058    79.38258
   54    53 S   O    _O22    45     1.22099   126.64013    33.63841
   55    50 S   CT   _C19    77     1.55150   107.31378  -161.51107
   56    55 S   HC   _H38    78     1.09569   110.87166    67.07569
   57    55 S   HC   _H39    79     1.09643   110.94430   -52.77726
   58    55 S   HC   _H40    80     1.09487   113.20425  -171.72263
   59    53 S   OS   _O24    46     1.38540   109.54857  -147.70852
   60    59 S   CT   _C10    47     1.43383   109.20790    -0.09691
   61    60 S   HC   _H29    48     1.09675   107.63205   -93.18476
   62    60 S   CM   _C5_    49     1.49894   113.71641   148.76835
   63    62 S   HC   _H28    50     1.08516   115.20116    68.73384
   64    62 S   CM   _C7_    51     1.34904   123.92122  -114.49697
   65    64 S   CM   _C6_    52     1.47165   120.73219     9.02552
   66    65 S   CM   _C4_    53     1.34092   119.62275  -169.14596
   67    66 S   HC   _H27    54     1.08151   122.31584  -175.04753
   68    66 S   CO4  _C8_    55     1.46938   122.64847     7.85835
   69    68 S   O    _O21    56     1.22577   120.70949   170.26009
   70    68 S   OS   _O23    57     1.35117   116.33867    -7.42048
   71    64 S   CT   _C11    58     1.51696   124.77345  -177.77666
   72    71 S   HC   _H30    59     1.09975   107.18828   -98.44046
   73    71 S   CT   _C22    60     1.55352   117.55690    22.57842
   74    73 S   HC   _H47    61     1.09656   109.25503   -55.16426
   75    73 S   CT   _C20    62     1.53373   112.78185    65.65072
   76    75 S   HC   _H41    63     1.09459   111.54974    62.51637
   77    75 S   HC   _H42    64     1.09356   111.82681   -58.45571
   78    75 S   HC   _H43    65     1.09556   110.42936  -177.90753
   79    73 S   CT   _C21    66     1.53545   110.59101  -172.28691
   80    79 S   HC   _H44    67     1.09511   111.82275   -64.08355
   81    79 S   HC   _H45    68     1.09543   110.59429   175.80698
   82    79 S   HC   _H46    69     1.09508   110.74965    56.58907
  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
  19   8   2   1   1  13   6   5  20  14   6  21   9   8   3   2
   1  13   3   1   9   3   5   2   1   1   5   6   3   8   3  11
   8   5   3   5   2   6  11   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    65    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    60    64    65    66    41    44    45    46    47    48    49    51  
   38    39    40    42    65    41    44    46  
   36    37  
   37  
    0  
   39    40    42    43    50    53    65    41    44    46    55    51    52  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    55    42    50    53    59    60    61    62    64    65    66    67    68    71  
   43    50    53    54    59    60    44    45    55    56    57    58    51    52  
   50    53    44    55    51    52  
   45    46    47    48    49    55    56    57    58    51    50    53    54    59    60    61    62    63    64    65    66  
   46    55    50    53    59    60    61    62    65  
   47    48    49    50    60    64    65    66  
   48    49    65  
   49    65  
   65  
   53    54    59    60    61    62    65    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64    65    71  
   62    63    64  
   63    64    65    66    70    71    72    73  
   64    65    71  
   65    66    67    68    70    71    72    73    74    75    79  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72    73  
   70    71  
   71    72    73    74    75    79  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    51   320.000  1.410
   50    53   317.000  1.522
   50    44   268.000  1.529
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    44   268.000  1.529
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   380.000  1.444
   64    71   317.000  1.510
   65    66   549.000  1.340
   65    41   317.000  1.510
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   214.000  1.327
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   41    44   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    65    70.00000  112.02700
   33    41    44    58.35000  112.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    58.35000  112.70000
   38    42    51    50.00000  109.50000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    50    53    63.00000  111.10000
   42    50    44    58.35000  112.70000
   42    50    55    58.35000  112.70000
   42    51    52    55.00000  108.50000
   50    42    43    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    59    81.00000  111.40000
   50    44    60    58.35000  112.70000
   50    44    41    58.35000  112.70000
   50    44    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    85.00000  110.90400
   59    60    44    50.00000  109.50000
   60    62    63    35.00000  117.00000
   60    62    64    70.00000  124.00000
   60    44    41    58.35000  112.70000
   60    44    45    37.50000  110.70000
   62    60    61    35.00000  109.50000
   62    64    65    70.00000  123.01800
   62    64    71    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    70.00000  123.01800
   64    65    41    70.00000  124.00000
   64    71    70    85.00000  110.90400
   64    71    72    35.00000  109.50000
   64    71    73    70.00000  112.02700
   65    66    67    35.00000  120.00000
   65    66    68    65.00000  118.96000
   65    41    44    70.00000  112.02700
   65    41    46    70.00000  112.02700
   66    68    69    80.00000  123.72100
   66    68    70    90.00000  111.29400
   68    66    67    40.00000  117.72500
   68    70    71    83.00000  116.90000
   70    68    69    83.00000  123.40000
   70    71    72    35.00000  109.50000
   70    71    73    50.00000  109.50000
   71    64    65    70.00000  124.00000
   71    73    74    37.50000  110.70000
   71    73    75    58.35000  112.70000
   71    73    79    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    66    70.00000  124.00000
   41    44    45    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    50    53    63.00000  111.10000
   44    60    61    37.50000  110.70000
   44    60    62    70.00000  112.02700
   46    41    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   55    50    53    63.00000  111.10000
   55    50    44    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    50.00000  109.50000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    65   0.56750  1.0 1.0
   29    33    41    65  -0.07550 -1.0 2.0
   29    33    41    65   0.20000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.56750  1.0 1.0
   33    38    42    50  -0.07550 -1.0 2.0
   33    38    42    50   0.20000  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    41   -44    50   0.56750  1.0 1.0
   33    41   -44    50  -0.07550 -1.0 2.0
   33    41   -44    50   0.20000  1.0 3.0
   33    41    44    60   0.56750  1.0 1.0
   33    41    44    60  -0.07550 -1.0 2.0
   33    41    44    60   0.20000  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    65   0.34400  1.0 1.0
   38    33    41    65   0.09450 -1.0 2.0
   38    33    41    65   0.11100  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    42    50    53  -0.95700  1.0 1.0
   38    42    50    53  -0.18200 -1.0 2.0
   38    42    50    53   0.29450  1.0 3.0
   38    42   -50    44   0.56750  1.0 1.0
   38    42   -50    44  -0.07550 -1.0 2.0
   38    42   -50    44   0.20000  1.0 3.0
   38    42    50    55   0.56750  1.0 1.0
   38    42    50    55  -0.07550 -1.0 2.0
   38    42    50    55   0.20000  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    50   0.62750  1.0 1.0
   39    38    42    50  -0.30950 -1.0 2.0
   39    38    42    50   0.27300  1.0 3.0
   39    38    42    51   3.69350  1.0 1.0
   39    38    42    51  -1.82950 -1.0 2.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    53    54   0.30150 -1.0 2.0
   42    50    53    59   0.36750  1.0 3.0
   42    50    44    60   0.56750  1.0 1.0
   42    50    44    60  -0.07550 -1.0 2.0
   42    50    44    60   0.20000  1.0 3.0
   42    50    44    41   0.56750  1.0 1.0
   42    50    44    41  -0.07550 -1.0 2.0
   42    50    44    41   0.20000  1.0 3.0
   42    50    44    45   0.15000  1.0 3.0
   42    50    55    56   0.15000  1.0 3.0
   42    50    55    57   0.15000  1.0 3.0
   42    50    55    58   0.15000  1.0 3.0
   43    42    50    53  -0.11250  1.0 3.0
   43    42    50    44   0.15000  1.0 3.0
   43    42    50    55   0.15000  1.0 3.0
   43    42    51    52   0.19450  1.0 3.0
   50    42    51    52  -0.11600  1.0 1.0
   50    42    51    52  -0.09450 -1.0 2.0
   50    42    51    52   0.21250  1.0 3.0
   50    53   -59    60   1.63150  1.0 1.0
   50    53   -59    60   2.92000 -1.0 2.0
   53    50   -44    60  -0.95700  1.0 1.0
   53    50   -44    60  -0.18200 -1.0 2.0
   53    50   -44    60   0.29450  1.0 3.0
   53    50    44    41  -0.95700  1.0 1.0
   53    50    44    41  -0.18200 -1.0 2.0
   53    50    44    41   0.29450  1.0 3.0
   53    50    44    45  -0.11250  1.0 3.0
   53    50    55    56  -0.11250  1.0 3.0
   53    50    55    57  -0.11250  1.0 3.0
   53    50    55    58  -0.11250  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.82050  1.0 1.0
   53    59    60    62   0.00600 -1.0 2.0
   53    59    60    62   0.04400  1.0 3.0
   53    59   -60    44  -0.25900  1.0 1.0
   53    59   -60    44  -0.47000 -1.0 2.0
   53    59   -60    44   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.00000  1.0 1.0
   59    60    62    64   0.39000  1.0 1.0
   59    60    62    64  -0.05800 -1.0 2.0
   59    60    62    64  -0.55150  1.0 3.0
   59    60   -44    50   0.62750  1.0 1.0
   59    60   -44    50  -0.30950 -1.0 2.0
   59    60   -44    50   0.27300  1.0 3.0
   59    60    44    41   0.62750  1.0 1.0
   59    60    44    41  -0.30950 -1.0 2.0
   59    60    44    41   0.27300  1.0 3.0
   59    60    44    45   0.23400  1.0 3.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    71   7.00000 -1.0 2.0
   61    60    62    63   0.33100  1.0 3.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    44    50   0.15000  1.0 3.0
   61    60    44    41   0.15000  1.0 3.0
   61    60    44    45   0.15000  1.0 3.0
   62    60    44    50   0.34400  1.0 1.0
   62    60    44    50   0.09450 -1.0 2.0
   62    60    44    50   0.11100  1.0 3.0
   62    60    44    41   0.34400  1.0 1.0
   62    60    44    41   0.09450 -1.0 2.0
   62    60    44    41   0.11100  1.0 3.0
   62    60    44    45   0.15000  1.0 3.0
   62    64    65    66   0.28850  1.0 1.0
   62    64    65    66   2.61350 -1.0 2.0
   62    64    65    66   0.78400  1.0 3.0
   62    64   -65    41  -0.18600  1.0 3.0
   62    64    71    70   0.39000  1.0 1.0
   62    64    71    70  -0.05800 -1.0 2.0
   62    64    71    70  -0.55150  1.0 3.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.09850  1.0 1.0
   62    64    71    73   0.15250 -1.0 2.0
   62    64    71    73  -0.50650  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    71   7.00000 -1.0 2.0
   64    65    66    67   7.00000 -1.0 2.0
   64    65    66    68   7.00000 -1.0 2.0
   64    65    41    33   0.98200  1.0 1.0
   64    65    41    33  -0.11900 -1.0 2.0
   64    65    41    33   0.24250  1.0 3.0
   64    65    41    44   0.98200  1.0 1.0
   64    65    41    44  -0.11900 -1.0 2.0
   64    65    41    44   0.24250  1.0 3.0
   64    65    41    46   0.98200  1.0 1.0
   64    65    41    46  -0.11900 -1.0 2.0
   64    65    41    46   0.24250  1.0 3.0
   64    71    73    74   0.15000  1.0 3.0
   64    71    73    75   0.34400  1.0 1.0
   64    71    73    75   0.09450 -1.0 2.0
   64    71    73    75   0.11100  1.0 3.0
   64    71    73    79   0.34400  1.0 1.0
   64    71    73    79   0.09450 -1.0 2.0
   64    71    73    79   0.11100  1.0 3.0
   65    64    71    70   0.39000  1.0 1.0
   65    64    71    70  -0.05800 -1.0 2.0
   65    64    71    70  -0.55150  1.0 3.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.98200  1.0 1.0
   65    64    71    73  -0.11900 -1.0 2.0
   65    64    71    73   0.24250  1.0 3.0
   65    66    68    69   1.00000 -1.0 2.0
   65    66   -68    70  -0.56150  1.0 1.0
   65    66   -68    70   2.19150 -1.0 2.0
   65    41    44    50   0.34400  1.0 1.0
   65    41    44    50   0.09450 -1.0 2.0
   65    41    44    50   0.11100  1.0 3.0
   65    41   -44    60   0.34400  1.0 1.0
   65    41   -44    60   0.09450 -1.0 2.0
   65    41   -44    60   0.11100  1.0 3.0
   65    41    44    45   0.15000  1.0 3.0
   65    41    46    47   0.15000  1.0 3.0
   65    41    46    48   0.15000  1.0 3.0
   65    41    46    49   0.15000  1.0 3.0
   66    65    41    33   0.09850  1.0 1.0
   66    65    41    33   0.15250 -1.0 2.0
   66    65    41    33  -0.50650  1.0 3.0
   66    65    41    44   0.09850  1.0 1.0
   66    65    41    44   0.15250 -1.0 2.0
   66    65    41    44  -0.50650  1.0 3.0
   66    65    41    46   0.09850  1.0 1.0
   66    65    41    46   0.15250 -1.0 2.0
   66    65    41    46  -0.50650  1.0 3.0
   66    68    70    71   2.00000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   1.63100 -1.0 2.0
   68    70   -71    64  -0.82050  1.0 1.0
   68    70   -71    64   0.00600 -1.0 2.0
   68    70   -71    64   0.04400  1.0 3.0
   68    70    71    72   0.08050  1.0 3.0
   68    70    71    73  -0.25900  1.0 1.0
   68    70    71    73  -0.47000 -1.0 2.0
   68    70    71    73   0.11750  1.0 3.0
   69    68    70    71   3.00000 -1.0 2.0
   70    71    73    74   0.23400  1.0 3.0
   70    71    73    75   0.62750  1.0 1.0
   70    71    73    75  -0.30950 -1.0 2.0
   70    71    73    75   0.27300  1.0 3.0
   70    71    73    79   0.62750  1.0 1.0
   70    71    73    79  -0.30950 -1.0 2.0
   70    71    73    79   0.27300  1.0 3.0
   71    64   -65    66  -0.18600  1.0 3.0
   71    64    65    41   0.35650  1.0 1.0
   71    64    65    41   0.31450 -1.0 2.0
   71    73    75    76   0.15000  1.0 3.0
   71    73    75    77   0.15000  1.0 3.0
   71    73    75    78   0.15000  1.0 3.0
   71    73    79    80   0.15000  1.0 3.0
   71    73    79    81   0.15000  1.0 3.0
   71    73    79    82   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    79   0.15000  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    82   0.15000  1.0 3.0
   79    73    75    76   0.15000  1.0 3.0
   79    73    75    77   0.15000  1.0 3.0
   79    73    75    78   0.15000  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.56750  1.0 1.0
   41    33   -38    42  -0.07550 -1.0 2.0
   41    33   -38    42   0.20000  1.0 3.0
   41    65    66    67   7.00000 -1.0 2.0
   41    65    66    68   7.00000 -1.0 2.0
   44    50    53    54   0.30150 -1.0 2.0
   44    50   -53    59   0.36750  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   44    50    55    58   0.15000  1.0 3.0
   44    60    62    63   0.00000  1.0 1.0
   44    60   -62    64   0.09850  1.0 1.0
   44    60   -62    64   0.15250 -1.0 2.0
   44    60   -62    64  -0.50650  1.0 3.0
   44    41    46    47   0.15000  1.0 3.0
   44    41    46    48   0.15000  1.0 3.0
   44    41    46    49   0.15000  1.0 3.0
   46    41    44    50   0.56750  1.0 1.0
   46    41    44    50  -0.07550 -1.0 2.0
   46    41    44    50   0.20000  1.0 3.0
   46    41    44    60   0.56750  1.0 1.0
   46    41    44    60  -0.07550 -1.0 2.0
   46    41    44    60   0.20000  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    59   0.36750  1.0 3.0
   55    50    44    60   0.56750  1.0 1.0
   55    50    44    60  -0.07550 -1.0 2.0
   55    50    44    60   0.20000  1.0 3.0
   55    50    44    41   0.56750  1.0 1.0
   55    50    44    41  -0.07550 -1.0 2.0
   55    50    44    41   0.20000  1.0 3.0
   55    50    44    45   0.15000  1.0 3.0
   51    42    50    53  -0.09450  1.0 1.0
   51    42    50    53  -1.12950 -1.0 2.0
   51    42    50    53   0.54000  1.0 3.0
   51    42    50    44   0.86500  1.0 1.0
   51    42    50    44  -0.17500 -1.0 2.0
   51    42    50    44   0.20800  1.0 3.0
   51    42    50    55   0.86500  1.0 1.0
   51    42    50    55  -0.17500 -1.0 2.0
   51    42    50    55   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   50    59    53    54  10.50000 -1.0 2.0
   60    63    62    64   1.10000 -1.0 2.0
   65    71    64    62   1.10000 -1.0 2.0
   64    41    65    66   1.10000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
END
