* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    168    272     496
    1     0 S   NP   _N1_     1    28.72579    94.74701   -20.40482
    2     1 S   H    _HN1     2     1.02775    85.69541   -69.83915
    3     1 S   H    _H1_     3     1.02969    92.69611    38.35274
    4     1 S   H    _H2_     4     1.02834    32.57373   156.45422
    5     1 S   CT   _CA1     5     1.50133   142.92028   168.12617
    6     5 S   HC   _HA1     6     1.09576   105.23284    52.42949
    7     5 S   CO3  _C1_     7     1.53783   112.36478   -67.72258
    8     7 S   O2Z  _O11     8     1.26345   114.99979   -43.61096
    9     7 S   O2Z  _O12     9     1.26241   114.91397   135.51033
   10     5 S   CT   _CB1    10     1.53080   107.39555   170.27886
   11    10 S   HC   HB11    11     1.09817   109.27397   -51.18987
   12    10 S   HC   HB12    12     1.09829   110.41242    65.33164
   13    10 S   CT   _CG1    13     1.53001   112.72724  -172.39741
   14    13 S   HC   HG11    14     1.09601   110.24921   -63.14000
   15    13 S   HC   HG12    15     1.09632   110.17724    56.07544
   16    13 S   C    _CD1    16     1.51817   112.22424   176.26194
   17    16 S   O    _OE1    17     1.22733   123.21224   -10.25064
   18    16 S   N    _N2_    18     1.38603   111.67883   170.29779
   19    18 S   H    _HN2    19     1.01591   119.00918     1.12674
   20    18 S   CT1  _CA2    20     1.46288   123.43784  -177.38618
   21    20 S   HC   _HA2    21     1.09732   109.34416   -15.44353
   22    20 S   C    _C2_    22     1.53384   108.41165  -131.23081
   23    22 S   O    _O2_    23     1.23010   122.26711  -146.42958
   24    20 S   CT   _CB2    32     1.53430   111.13842   106.61504
   25    24 S   HC   HB21    33     1.09595   109.52422    54.75532
   26    24 S   HC   HB22    34     1.09502   110.91748   173.48702
   27    22 S   N    _N3_    24     1.38521   113.33290    41.02626
   28    27 S   H    _HN3    25     1.01531   118.88050    -0.64771
   29    24 S   S    _SG2    35     1.82704   111.55150   -66.91184
   30    27 S   CT   _CA3    26     1.45450   123.45945   175.04022
   31    30 S   HC   HA31    27     1.09523   109.23153    24.31177
   32    30 S   HC   HA32    28     1.09495   107.11704   141.32333
   33    29 S   CT   _C24    36     1.82898    99.28609   149.66841
   34    33 S   HC   _H8_    37     1.09245   104.89848   -55.74482
   35    30 S   CO3  _C3_    29     1.52932   113.14775   -99.15892
   36    35 S   O2Z  _O31    30     1.26401   115.42767   -43.60148
   37    35 S   O2Z  _O32    31     1.26358   114.96638   137.34169
   38    33 S   CM   _C21    38     1.53249   110.68466  -175.20715
   39    38 S   CT   _C20    39     1.54789   111.71456   -78.61977
   40    39 S   HC   _H7_    40     1.10047   105.76830    64.02425
   41    38 S   CMA  _C22    80     1.37161   120.85769   101.28121
   42    41 S   OM   _O33    81     1.26705   126.97433   177.87772
   43    39 S   CT   _C19    41     1.54452   118.11723  -178.90514
   44    43 S   HC   _H23    42     1.09809   110.34450    59.44772
   45    43 S   HC   _H24    43     1.09682   109.14514   -58.85432
   46    39 S   CT   _C6_    71     1.55338   109.50767   -51.22289
   47    46 S   HC   _H4_    72     1.10041   107.33321   -63.14572
   48    41 S   OS   _O34    82     1.42058   112.00541    -0.49732
   49    43 S   CT   _C18    44     1.52714   112.11278  -178.81932
   50    49 S   HC   _H6_    45     1.09784   110.92820    56.53379
   51    46 S   CT   _C5_    73     1.54269   109.73366    54.35416
   52    51 S   HC   _H3_    74     1.09683   110.40760    63.38138
   53    48 S   CT   _C23    83     1.42924   112.85699  -124.33201
   54    53 S   HC   _H25    84     1.09400   107.72344   170.55286
   55    53 S   HC   _H26    85     1.09553   111.11291    52.36426
   56    53 S   HC   _H27    86     1.09464   111.06288   -71.37685
   57    49 S   C5A  _C17    46     1.49132   113.69008   179.69868
   58    33 S   OS   _O35    75     1.43060   114.54095    57.07187
   59    51 S   CT   _C4_    76     1.52701   113.24527  -175.75227
   60    59 S   HC   _H9_    77     1.09555   110.92798    54.75839
   61    59 S   HC   _H10    78     1.09324   112.07002   -67.11960
   62    59 S   HC   _H11    79     1.09597   110.29784   172.67022
   63    57 S   C5B  _C10    47     1.37970   125.38576   135.39546
   64    57 S   NA   _N5_    58     1.36636   126.22144   -47.35974
   65    64 S   H    _H22    59     1.01119   125.64758     1.80201
   66    63 S   C56B _C11    48     1.42208   107.56381   178.60900
   67    63 S   CT   _C9_    60     1.49012   121.90601    -2.16329
   68    67 S   HC   _H16    61     1.09556   110.51251   139.85869
   69    67 S   HC   _H17    62     1.09693   108.70490  -102.49122
   70    66 S   CA   _C12    49     1.40941   134.41490   179.44574
   71    70 S   HA   _H18    50     1.08620   120.77120    -0.05234
   72    67 S   CT   _C8_    63     1.53866   111.40327    18.15282
   73    72 S   HC   _H14    64     1.09609   112.08919    71.37931
   74    72 S   HC   _H15    65     1.09481   110.39490  -166.12792
   75    70 S   CA   _C13    51     1.39951   119.29238   179.95154
   76    75 S   HA   _H19    52     1.08692   119.53221   179.97202
   77    49 S   NP   _N4_    66     1.53161   107.11243   -59.29255
   78    77 S   H    _H5_    67     1.02996   107.26261   -53.49435
   79    75 S   CA   _C14    53     1.39316   120.75996    -0.02798
   80    79 S   HA   _H20    54     1.08719   119.56040   179.98022
   81    77 S   CT   _C7_    68     1.50213   111.31696    63.30146
   82    81 S   HC   _H12    69     1.09417   106.36870   178.48431
   83    81 S   HC   _H13    70     1.09598   107.72699    61.35094
   84    79 S   CA   _C15    55     1.39776   121.03965     0.02798
   85    84 S   HA   _H21    56     1.08500   120.90561   180.00000
   86    66 S   C56A _C16    57     1.39883   106.88616    -0.58283
  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   7   5   4   3
  13   5   2   1   1  15  20   9   9   2  14   6   5  15   8   4
  16   7  10   6   3   2   1   1  14   5   4   2   1   1  15   9
   3  12  10   5   4   7   4   7   4   3   6   3   4   3   4   3
   2   1   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    51    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    52    58    59    41    42    48  
   38    39    51    58    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    81    46    47    51    58    41    42    48    53  
   40    43    44    45    49    50    57    77    81    82    83    46    47    51    52    58    59    41    42    48  
   43    44    45    49    81    46    47    51    41  
   42    48    53    54    55    56    43    46    58  
   48    53  
   44    45    49    50    57    63    64    72    77    78    81    46    47    51  
   45    49    50    57    77    46  
   49    50    57    77    46  
   47    51    52    58    59    60    61    62    49    72    77    78    81    82    83  
   51    52    58    59    77    81    82    83  
   53    54    55    56  
   50    57    63    66    86    64    65    67    72    73    74    77    78    81    82    83  
   57    63    64    72    77    78    81  
   52    58    59    60    61    62    77    81    82    83  
   58    59    60    61    62    81  
   54    55    56  
   55    56  
   56  
    0  
   63    66    70    84    86    64    65    67    68    69    72    77    78    81  
   59    60    61    62    81  
   60    61    62    81  
   61    62  
   62  
    0  
   66    70    71    75    84    86    64    65    67    68    69    72    73    74    77  
   65    67    77    66    70    79    84    85    86  
   66    84    86  
   70    71    75    76    79    84    85    86    67    68    69    72  
   68    69    72    73    74    77    78    81    70    86  
   69    72    73    74    77  
   72    73    74    77  
   71    75    76    79    80    84    86  
   75    76    79    86  
   73    74    77    78    81    82    83  
   74    77    78    81  
   77    78    81  
   76    79    80    84    85    86  
   79    80    84  
   78    81    82    83  
   81    82    83  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    0  
   85    86  
   86  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    58   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    57   295.000  1.489
   49    77   367.000  1.471
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    66   380.000  1.440
   63    67   295.000  1.494
   66    70   469.000  1.404
   66    86   447.000  1.419
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    64   428.000  1.380
   64    65   434.000  1.010
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   367.000  1.471
   77    78   434.000  1.010
   77    81   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    46   268.000  1.529
   46    47   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    58    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    58    51    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    81    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    70.00000  113.44400
   43    49    77    80.00000  111.20000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    57    63    55.00000  130.44200
   49    57    64    65.00000  122.56900
   49    77    72    75.00000  113.01200
   49    77    78    35.00000  109.50000
   49    77    81    75.00000  113.01200
   57    49    50    45.00000  110.47400
   57    63    66    80.00000  105.82900
   57    63    67    55.00000  127.77900
   57    64    86    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    66    70    50.00000  134.85500
   63    66    86    80.00000  107.43600
   63    67    68    45.00000  111.11700
   63    67    69    45.00000  111.11700
   63    67    72    70.00000  112.62400
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    86    84    85.00000  122.70000
   66    86    64    70.00000  104.40000
   70    75    76    35.00000  120.00000
   70    75    79    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    79    80    35.00000  120.00000
   75    79    84    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    84    85    35.00000  120.00000
   79    84    86    85.00000  120.00000
   84    79    80    35.00000  120.00000
   84    86    64    70.00000  132.80000
   86    66    70    85.00000  116.20000
   86    84    85    35.00000  120.00000
   86    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   67    63    66    55.00000  128.73000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    77    80.00000  111.20000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    77    78    35.00000  109.50000
   72    77    81    75.00000  113.01200
   74    72    73    33.00000  107.80000
   77    49    50    35.00000  109.50000
   77    49    57    75.00000  111.64000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    46    80.00000  111.20000
   81    77    78    35.00000  109.50000
   81    46    47    37.50000  110.70000
   81    46    51    58.35000  112.70000
   83    81    82    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    81    82    37.50000  110.70000
   46    81    83    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    58    50.00000  109.50000
   46    51    59    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    85.00000  110.90400
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    48    53    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51  -0.77900  1.0 1.0
   38    33    58    51  -0.36900 -1.0 2.0
   38    33    58    51   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.34400  1.0 1.0
   38    39    43    49   0.09450 -1.0 2.0
   38    39    43    49   0.11100  1.0 3.0
   38    39    46    81   0.34400  1.0 1.0
   38    39    46    81   0.09450 -1.0 2.0
   38    39    46    81   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    51   0.34400  1.0 1.0
   38    39   -46    51   0.09450 -1.0 2.0
   38    39   -46    51   0.11100  1.0 3.0
   38    41    48    53  -2.26850  1.0 1.0
   38    41    48    53   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    57  -0.03700  1.0 1.0
   39    43    49    57   0.37200 -1.0 2.0
   39    43    49    57  -0.47300  1.0 3.0
   39    43    49    77   1.36600  1.0 1.0
   39    43    49    77  -0.11450 -1.0 2.0
   39    43    49    77   0.24250  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    58   0.62750  1.0 1.0
   39    46    51    58  -0.30950 -1.0 2.0
   39    46    51    58   0.27300  1.0 3.0
   39    46    51    59   0.56750  1.0 1.0
   39    46    51    59  -0.07550 -1.0 2.0
   39    46    51    59   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    46    81   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   43    39    46    81   0.56750  1.0 1.0
   43    39    46    81  -0.07550 -1.0 2.0
   43    39    46    81   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    51   0.56750  1.0 1.0
   43    39    46    51  -0.07550 -1.0 2.0
   43    39    46    51   0.20000  1.0 3.0
   43    49    57    63   0.04150 -1.0 2.0
   43    49    57    64   0.39850  1.0 1.0
   43    49    57    64   0.06450 -1.0 2.0
   43    49    57    64   0.32400  1.0 3.0
   43    49    77    72   0.47100  1.0 1.0
   43    49    77    78   0.17350  1.0 3.0
   43    49   -77    81   0.47100  1.0 1.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.43200  1.0 3.0
   44    43    49    77   0.19200  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    57   0.43200  1.0 3.0
   45    43    49    77   0.19200  1.0 3.0
   49    57    63    66   3.62500 -1.0 2.0
   49    57    63    67   3.62500 -1.0 2.0
   49    57    64    86   3.62500 -1.0 2.0
   49    57    64    65   2.00000 -1.0 2.0
   49    77    81    82   0.15000  1.0 3.0
   49    77    81    83   0.15000  1.0 3.0
   49    77    81    46   0.47100  1.0 1.0
   50    49    57    63   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   50    49    77    72   0.15000  1.0 3.0
   50    49    77    78   0.13050  1.0 3.0
   50    49    77    81   0.15000  1.0 3.0
   57    49    77    72   0.03550  1.0 1.0
   57    49    77    72   0.09800 -1.0 2.0
   57    49    77    78   0.17350  1.0 3.0
   57    49    77    81   0.03550  1.0 1.0
   57    49    77    81   0.09800 -1.0 2.0
   57    63    66    70   3.62500 -1.0 2.0
   57    63   -66    86   3.50000 -1.0 2.0
   57    63    67    68   0.00000  1.0 1.0
   57    63    67    69   0.00000  1.0 1.0
   57    63   -67    72   0.04150 -1.0 2.0
   63    57   -64    86   3.62500 -1.0 2.0
   63    57    64    65   1.40000 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    75   3.62500 -1.0 2.0
   63    66    86    84   3.00000 -1.0 2.0
   63    66   -86    64   3.00000 -1.0 2.0
   63    67    72    73   0.43200  1.0 3.0
   63    67    72    74   0.43200  1.0 3.0
   63    67    72    77   1.24050  1.0 1.0
   63    67    72    77   0.48100 -1.0 2.0
   63    67    72    77   1.08150  1.0 3.0
   66    63    67    68   0.00000  1.0 1.0
   66    63    67    69   0.00000  1.0 1.0
   66    63    67    72   0.04150 -1.0 2.0
   66    70    75    76   3.62500 -1.0 2.0
   66    70    75    79   3.62500 -1.0 2.0
   66    86   -64    57   3.62500 -1.0 2.0
   66    86    64    65   1.52500 -1.0 2.0
   70    66    86    84   3.00000 -1.0 2.0
   70    66    86    64   3.00000 -1.0 2.0
   70    75    79    80   3.62500 -1.0 2.0
   70    75   -79    84   3.62500 -1.0 2.0
   71    70    75    76   3.62500 -1.0 2.0
   71    70    75    79   3.62500 -1.0 2.0
   75    79    84    85   3.62500 -1.0 2.0
   75    79    84    86   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    84   3.62500 -1.0 2.0
   79    84   -86    66   3.62500 -1.0 2.0
   79    84    86    64   3.62500 -1.0 2.0
   80    79    84    85   3.62500 -1.0 2.0
   80    79    84    86   3.62500 -1.0 2.0
   84    86    64    57   3.62500 -1.0 2.0
   84    86    64    65   1.52500 -1.0 2.0
   85    84    86    66   3.62500 -1.0 2.0
   85    84    86    64   3.62500 -1.0 2.0
   86    66    70    71   3.50000 -1.0 2.0
   86    66   -70    75   3.50000 -1.0 2.0
   64    57   -63    66   3.62500 -1.0 2.0
   64    57    63    67   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    86   3.62500 -1.0 2.0
   67    72   -77    49   0.47100  1.0 1.0
   67    72    77    78   0.17350  1.0 3.0
   67    72    77    81   0.47100  1.0 1.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    77   0.19200  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    77   0.19200  1.0 3.0
   72    77    81    82   0.15000  1.0 3.0
   72    77    81    83   0.15000  1.0 3.0
   72    77    81    46   0.47100  1.0 1.0
   73    72    77    49   0.15000  1.0 3.0
   73    72    77    78   0.13050  1.0 3.0
   73    72    77    81   0.15000  1.0 3.0
   74    72    77    49   0.15000  1.0 3.0
   74    72    77    78   0.13050  1.0 3.0
   74    72    77    81   0.15000  1.0 3.0
   77    49   -57    63  -0.46400 -1.0 2.0
   77    49    57    64   0.04300 -1.0 2.0
   77    81   -46    39   1.36600  1.0 1.0
   77    81   -46    39  -0.11450 -1.0 2.0
   77    81   -46    39   0.24250  1.0 3.0
   77    81    46    47   0.19200  1.0 3.0
   77    81    46    51   1.36600  1.0 1.0
   77    81    46    51  -0.11450 -1.0 2.0
   77    81    46    51   0.24250  1.0 3.0
   78    77    81    82   0.13050  1.0 3.0
   78    77    81    83   0.13050  1.0 3.0
   78    77    81    46   0.17350  1.0 3.0
   81    46    51    52   0.15000  1.0 3.0
   81    46    51    58   0.62750  1.0 1.0
   81    46    51    58  -0.30950 -1.0 2.0
   81    46    51    58   0.27300  1.0 3.0
   81    46    51    59   0.56750  1.0 1.0
   81    46    51    59  -0.07550 -1.0 2.0
   81    46    51    59   0.20000  1.0 3.0
   82    81    46    39   0.15000  1.0 3.0
   82    81    46    47   0.15000  1.0 3.0
   82    81    46    51   0.15000  1.0 3.0
   83    81    46    39   0.15000  1.0 3.0
   83    81    46    47   0.15000  1.0 3.0
   83    81    46    51   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49   0.56750  1.0 1.0
   46    39   -43    49  -0.07550 -1.0 2.0
   46    39   -43    49   0.20000  1.0 3.0
   46    51   -58    33   0.06250  1.0 1.0
   46    51   -58    33  -0.01100 -1.0 2.0
   46    51   -58    33   0.28050  1.0 3.0
   46    51    59    60   0.15000  1.0 3.0
   46    51    59    61   0.15000  1.0 3.0
   46    51    59    62   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   47    46    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33   -38    39   0.09700  1.0 1.0
   58    33   -38    39   0.15600 -1.0 2.0
   58    33   -38    39  -0.50800  1.0 3.0
   58    33    38    41   0.39000  1.0 1.0
   58    33    38    41  -0.05800 -1.0 2.0
   58    33    38    41  -0.55150  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    53    54   0.08050  1.0 3.0
   41    48    53    55   0.08050  1.0 3.0
   41    48    53    56   0.08050  1.0 3.0
   42    41    48    53   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   63    64    57    49   4.00000 -1.0 2.0
   66    67    63    57   4.00000 -1.0 2.0
   70    86    66    63   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   79    76    75    70   1.10000 -1.0 2.0
   84    80    79    75   1.10000 -1.0 2.0
   86    85    84    79   1.10000 -1.0 2.0
   84    64    86    66   4.00000 -1.0 2.0
   65    57    64    86   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
