* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    149    229     441
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02038    34.81054  -169.31605
    3     1 S   H    _H1_     3     1.02063    96.96851   -56.41499
    4     1 S   H    _H2_     4     1.02032    82.51159    51.66549
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C9_    36     1.85407    97.11329  -178.16613
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C8_    37     1.53913   106.19826   159.98863
   38    37 S   HC   _H11    38     1.09396   112.34337   -55.76948
   39    33 S   CT   _C10    56     1.56947   110.70973   -70.24348
   40    39 S   HC   _H3_    57     1.09443   106.19771  -174.07315
   41    33 S   CT   _C22    80     1.54879   105.85803    47.89684
   42    41 S   HC   _H22    81     1.08183   108.84100   -67.56502
   43    41 S   HC   _H23    82     1.08151   108.81053   172.38813
   44    41 S   HC   _H24    83     1.08282   108.78695    52.41355
   45    37 S   CM   _C7_    39     1.34868   133.45902   126.60517
   46    39 S   OH   _O37    58     1.43357   110.20263    73.05813
   47    46 S   HO   _H21    59     0.96773   106.13017   170.23420
   48    45 S   CM   _C6_    40     1.43945   125.39782    -3.39188
   49    48 S   HC   _H10    41     1.08811   114.79471    71.15533
   50    45 S   OH   _O38    78     1.38232   121.88120   177.84478
   51    50 S   HO   _H25    79     0.96170   109.69531    -1.09146
   52    48 S   CM   _C5_    42     1.34732   125.17921  -100.18907
   53    52 S   CT   _C14    43     1.50841   119.18241   164.72493
   54    53 S   HC   _H12    44     1.09918   110.68040    24.59557
   55    53 S   HC   _H13    45     1.09813   109.17526   138.62051
   56    52 S   CT   _C4_    74     1.50588   125.10049    -9.91298
   57    56 S   HC   _H7_    75     1.08533   109.18744    89.92855
   58    56 S   HC   _H8_    76     1.08533   109.16926   -30.22725
   59    56 S   HC   _H9_    77     1.08568   109.15998  -149.85042
   60    53 S   CT   _C13    46     1.55077   114.37395   -98.46663
   61    60 S   HC   _H6_    47     1.09765   110.22460   -61.18303
   62    60 S   CT   _C12    48     1.55628   114.33151    63.58812
   63    62 S   HC   _H5_    49     1.09791   107.93005    50.41100
   64    60 S   OS   _O33    63     1.43376   105.88752  -176.83659
   65    62 S   CM   _C19    50     1.49404   113.71944   171.58476
   66    64 S   CO4  _C15    64     1.35964   115.64172    87.70958
   67    66 S   O    _O34    65     1.22321   125.96723    -0.05234
   68    65 S   CO4  _C21    51     1.46937   110.50245   107.50662
   69    68 S   O    _O35    52     1.21763   127.17403  -171.71504
   70    65 S   CM   _C20    60     1.33651   128.36601   -77.24643
   71    70 S   HC   _H19    61     1.08292   120.68736     5.61576
   72    70 S   HC   _H20    62     1.08253   120.65286  -174.38825
   73    66 S   CM   _C16    66     1.48948   109.47902  -179.93744
   74    68 S   OS   _O36    53     1.35814   107.07700     8.64620
   75    73 S   CM   _C17    67     1.34172   117.28353  -150.08026
   76    75 S   HC   _H14    68     1.08632   120.77928   179.97202
   77    75 S   HC   _H15    69     1.08491   122.68572     0.02798
   78    73 S   CT   _C18    70     1.49755   120.37487    29.94988
   79    78 S   HC   _H16    71     1.09543   110.56682   -89.96724
   80    78 S   HC   _H17    72     1.09578   110.55728    30.44963
   81    78 S   HC   _H18    73     1.09478   111.95662   150.23127
   82    62 S   CT   _C11    54     1.54342   113.64851   -73.97061
   83    82 S   HC   _H4_    55     1.08799   111.25688     6.14794
  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
  17   2   1   1  15   5  16   7   6   2   1   1   7   5   1  12
   4   2   1  11  14   6   5   4   2   1   1  13   6  12   7   7
   8   9   3   7   3   4   1   1   7   2   6   2   1   3   2   1
   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    82    39    40    46    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    48    62    74    82    83    39    40    46    47    50    41    42    43    44  
   35    36  
   36  
    0  
   38    45    48    49    52    82    39    40    46    50    51    41    42    43    44  
   45    48    39    50    41  
   40    46    47    41    42    43    44    45    60    62    63    65    68    74    82    83  
   46    47    41    62    74    82    83  
   42    43    44    45    46    82  
   43    44  
   44  
    0  
   48    49    52    53    56    50    51  
   47    62    74    82    83  
   82  
   49    52    53    54    55    60    56    57    58    59    50    51  
   52    53    56    50  
   51    52  
    0  
   53    54    55    60    61    62    64    56    57    58    59  
   54    55    60    61    62    63    65    82    64    66    56    57    58    59  
   55    60    61    62    64    56  
   60    61    62    64    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    68    74    82    83    70    64    66    67    73  
   62    63    65    82    64    66  
   63    65    68    69    74    82    83    70    71    72    64    66  
   65    68    74    82    83    70    64  
   66    67    73    75    78    65    82  
   68    69    74    82    83    70    71    72  
   67    73    75    76    77    78    79    80    81  
   73    75    78  
   69    74    82    83    70    71    72  
   74    82    70  
   71    72    74    82  
   72  
    0  
   75    76    77    78    79    80    81  
   82    83  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83  
    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  -0.115000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   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    39   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    48   380.000  1.444
   45    50   510.000  1.338
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   317.000  1.510
   62    82   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    82   320.000  1.410
   82    83   340.000  1.090
   82    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    73   320.000  1.462
   73    75   549.000  1.340
   73    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    82    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    48    70.00000  123.01800
   37    45    50    80.00000  121.38400
   45    37    38    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    70.00000  123.01800
   45    50    51    70.00000  107.45700
   48    52    53    70.00000  124.00000
   48    52    56    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.02700
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    58.35000  112.70000
   53    60    64    50.00000  109.50000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    62    82    58.35000  112.70000
   60    64    66    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    68    65.00000  116.34900
   62    65    70    70.00000  124.00000
   62    82    74    50.00000  109.50000
   62    82    83    37.50000  110.70000
   62    82    39    58.35000  112.70000
   65    62    63    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    74    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   68    74    82    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    82    83    35.00000  109.50000
   74    82    39    50.00000  109.50000
   82    62    63    37.50000  110.70000
   82    62    65    70.00000  112.02700
   82    39    40    37.50000  110.70000
   82    39    46    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    82    83    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    73    90.00000  111.29400
   66    73    75    65.00000  118.96000
   66    73    78    65.00000  116.34900
   73    66    67    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    35.00000  120.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    73    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   50    45    48    80.00000  121.38400
   41    33    37    70.00000  112.02700
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    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
   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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    82   0.44750  1.0 1.0
   29    33    39    82  -0.17800 -1.0 2.0
   29    33    39    82   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    48   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33    39    82   0.34400  1.0 1.0
   37    33    39    82   0.09450 -1.0 2.0
   37    33    39    82   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    46   1.05650  1.0 1.0
   37    33    39    46   0.15600 -1.0 2.0
   37    33    39    46   0.53150  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    48    49  -0.18600  1.0 3.0
   37    45    48    52   0.28850  1.0 1.0
   37    45    48    52   2.61350 -1.0 2.0
   37    45    48    52   0.78400  1.0 3.0
   37    45    50    51  -0.66100  1.0 1.0
   37    45    50    51   1.20850 -1.0 2.0
   37    45    50    51  -0.36000  1.0 3.0
   38    37    45    48   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    48    52    53   7.00000 -1.0 2.0
   45    48    52    56   7.00000 -1.0 2.0
   48    45    50    51  -0.66100  1.0 1.0
   48    45    50    51   1.20850 -1.0 2.0
   48    45    50    51  -0.36000  1.0 3.0
   48    52    53    54   0.00000  1.0 1.0
   48    52    53    55   0.00000  1.0 1.0
   48    52    53    60   0.09850  1.0 1.0
   48    52    53    60   0.15250 -1.0 2.0
   48    52    53    60  -0.50650  1.0 3.0
   48    52    56    57   0.00000  1.0 1.0
   48    52    56    58   0.00000  1.0 1.0
   48    52    56    59   0.00000  1.0 1.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.34400  1.0 1.0
   52    53    60    62   0.09450 -1.0 2.0
   52    53    60    62   0.11100  1.0 3.0
   52    53    60    64   0.61850  1.0 1.0
   52    53    60    64  -0.22750 -1.0 2.0
   52    53    60    64   0.15300  1.0 3.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    62    63   0.15000  1.0 3.0
   53    60    62    65   0.34400  1.0 1.0
   53    60    62    65   0.09450 -1.0 2.0
   53    60    62    65   0.11100  1.0 3.0
   53    60    62    82   0.56750  1.0 1.0
   53    60    62    82  -0.07550 -1.0 2.0
   53    60    62    82   0.20000  1.0 3.0
   53    60    64    66  -0.25900  1.0 1.0
   53    60    64    66  -0.47000 -1.0 2.0
   53    60    64    66   0.11750  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    64   0.23400  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    64   0.23400  1.0 3.0
   60    62    65    68   0.09700  1.0 1.0
   60    62    65    68   0.15600 -1.0 2.0
   60    62    65    68  -0.50800  1.0 3.0
   60    62    65    70   0.09850  1.0 1.0
   60    62    65    70   0.15250 -1.0 2.0
   60    62    65    70  -0.50650  1.0 3.0
   60    62    82    74   0.62750  1.0 1.0
   60    62    82    74  -0.30950 -1.0 2.0
   60    62    82    74   0.27300  1.0 3.0
   60    62    82    83   0.15000  1.0 3.0
   60    62    82    39   0.56750  1.0 1.0
   60    62    82    39  -0.07550 -1.0 2.0
   60    62    82    39   0.20000  1.0 3.0
   60    64    66    67   3.00000 -1.0 2.0
   60    64    66    73   2.00000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    82   0.15000  1.0 3.0
   61    60    64    66   0.08050  1.0 3.0
   62    60    64    66  -0.25900  1.0 1.0
   62    60    64    66  -0.47000 -1.0 2.0
   62    60    64    66   0.11750  1.0 3.0
   62    65    68    69  -0.64400  1.0 1.0
   62    65    68    69   0.26850 -1.0 2.0
   62    65   -68    74  -0.15000  1.0 1.0
   62    65   -68    74   0.89550 -1.0 2.0
   62    65   -68    74  -0.06900  1.0 3.0
   62    65    70    71   7.00000 -1.0 2.0
   62    65    70    72   7.00000 -1.0 2.0
   62    82    39    33   0.56750  1.0 1.0
   62    82    39    33  -0.07550 -1.0 2.0
   62    82    39    33   0.20000  1.0 3.0
   62    82    39    40   0.15000  1.0 3.0
   62    82    39    46   0.86500  1.0 1.0
   62    82    39    46  -0.17500 -1.0 2.0
   62    82    39    46   0.20800  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.00000  1.0 1.0
   63    62    82    74   0.23400  1.0 3.0
   63    62    82    83   0.15000  1.0 3.0
   63    62    82    39   0.15000  1.0 3.0
   65    62   -82    74   0.61850  1.0 1.0
   65    62   -82    74  -0.22750 -1.0 2.0
   65    62   -82    74   0.15300  1.0 3.0
   65    62    82    83   0.15000  1.0 3.0
   65    62    82    39   0.34400  1.0 1.0
   65    62    82    39   0.09450 -1.0 2.0
   65    62    82    39   0.11100  1.0 3.0
   65    68   -74    82   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   68    74   -82    62  -0.25900  1.0 1.0
   68    74   -82    62  -0.47000 -1.0 2.0
   68    74   -82    62   0.11750  1.0 3.0
   68    74    82    83   0.08050  1.0 3.0
   68    74    82    39  -0.25900  1.0 1.0
   68    74    82    39  -0.47000 -1.0 2.0
   68    74    82    39   0.11750  1.0 3.0
   69    68    74    82   3.00000 -1.0 2.0
   74    82    39    33   0.62750  1.0 1.0
   74    82    39    33  -0.30950 -1.0 2.0
   74    82    39    33   0.27300  1.0 3.0
   74    82    39    40   0.23400  1.0 3.0
   74    82    39    46   3.69350  1.0 1.0
   74    82    39    46  -1.82950 -1.0 2.0
   82    62   -65    68   0.09700  1.0 1.0
   82    62   -65    68   0.15600 -1.0 2.0
   82    62   -65    68  -0.50800  1.0 3.0
   82    62    65    70   0.09850  1.0 1.0
   82    62    65    70   0.15250 -1.0 2.0
   82    62    65    70  -0.50650  1.0 3.0
   82    39    46    47  -0.11600  1.0 1.0
   82    39    46    47  -0.09450 -1.0 2.0
   82    39    46    47   0.21250  1.0 3.0
   83    82    39    33   0.15000  1.0 3.0
   83    82    39    40   0.15000  1.0 3.0
   83    82    39    46   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45   0.09850  1.0 1.0
   39    33    37    45   0.15250 -1.0 2.0
   39    33    37    45  -0.50650  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    74  -0.56150  1.0 1.0
   70    65    68    74   2.19150 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.61850  1.0 1.0
   64    60    62    65  -0.22750 -1.0 2.0
   64    60    62    65   0.15300  1.0 3.0
   64    60    62    82   0.62750  1.0 1.0
   64    60    62    82  -0.30950 -1.0 2.0
   64    60    62    82   0.27300  1.0 3.0
   64    66    73    75  -0.56150  1.0 1.0
   64    66    73    75   2.19150 -1.0 2.0
   64    66    73    78  -0.15000  1.0 1.0
   64    66    73    78   0.89550 -1.0 2.0
   64    66    73    78  -0.06900  1.0 3.0
   66    73    75    76   7.00000 -1.0 2.0
   66    73    75    77   7.00000 -1.0 2.0
   66    73    78    79   0.15000  1.0 3.0
   66    73    78    80   0.15000  1.0 3.0
   66    73    78    81   0.15000  1.0 3.0
   67    66    73    75   1.00000 -1.0 2.0
   67    66    73    78  -0.64400  1.0 1.0
   67    66    73    78   0.26850 -1.0 2.0
   75    73    78    79   0.00000  1.0 1.0
   75    73    78    80   0.00000  1.0 1.0
   75    73    78    81   0.00000  1.0 1.0
   78    73    75    76   7.00000 -1.0 2.0
   78    73    75    77   7.00000 -1.0 2.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.46850  1.0 1.0
   56    52    53    60   0.08550 -1.0 2.0
   56    52    53    60   0.09800  1.0 3.0
   50    45    48    49   0.00000  1.0 1.0
   50    45    48    52   0.50950  1.0 1.0
   50    45    48    52   0.56650 -1.0 2.0
   50    45    48    52   0.34050  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    82   0.56750  1.0 1.0
   41    33    39    82  -0.07550 -1.0 2.0
   41    33    39    82   0.20000  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    46   0.86500  1.0 1.0
   41    33    39    46  -0.17500 -1.0 2.0
   41    33    39    46   0.20800  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    45   1.10000 -1.0 2.0
   48    50    45    37   1.10000 -1.0 2.0
   45    49    48    52   1.10000 -1.0 2.0
   53    56    52    48   1.10000 -1.0 2.0
   62    68    65    70   1.10000 -1.0 2.0
   65    74    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   64    73    66    67  10.50000 -1.0 2.0
   66    78    73    75  15.00000 -1.0 2.0
   76    77    75    73  15.00000 -1.0 2.0
END
