* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    161    266     487
    1     0 S   NP   _N1_     1    28.79191    97.78592   -23.61353
    2     1 S   H    _HN1     2     1.02798   109.38605   -94.44222
    3     1 S   H    _H1_     3     1.02948    63.46728     6.94577
    4     1 S   H    _H2_     4     1.02828    45.47808   169.23058
    5     1 S   CT   _CA1     5     1.50127   137.42678    98.86171
    6     5 S   HC   _HA1     6     1.09577   105.16022   105.25462
    7     5 S   CO3  _C1_     7     1.53754   112.38933   -14.94946
    8     7 S   O2Z  _O11     8     1.26375   115.01500   -44.68392
    9     7 S   O2Z  _O12     9     1.26229   114.92100   134.24595
   10     5 S   CT   _CB1    10     1.53047   107.39089  -136.83423
   11    10 S   HC   HB11    11     1.09847   109.29859   -49.58680
   12    10 S   HC   HB12    12     1.09811   110.50082    66.97806
   13    10 S   CT   _CG1    13     1.53043   112.66765  -170.51365
   14    13 S   HC   HG11    14     1.09568   110.76979   -67.70682
   15    13 S   HC   HG12    15     1.09667   109.68889    51.56566
   16    13 S   C    _CD1    16     1.51819   111.83346   172.04303
   17    16 S   O    _OE1    17     1.22776   123.11970    13.98599
   18    16 S   N    _N2_    18     1.38641   111.95150  -166.00658
   19    18 S   H    _HN2    19     1.01587   119.03607     0.53995
   20    18 S   CT1  _CA2    20     1.46227   123.28783   176.16907
   21    20 S   HC   _HA2    21     1.09743   109.25252     8.11435
   22    20 S   C    _C2_    22     1.53702   108.91922  -107.38785
   23    22 S   O    _O2_    23     1.23089   122.20705  -149.14629
   24    20 S   CT   _CB2    32     1.53451   111.72730   130.07867
   25    24 S   HC   HB21    33     1.09435   109.68948    58.08374
   26    24 S   HC   HB22    34     1.09391   109.50473   176.81519
   27    22 S   N    _N3_    24     1.38300   113.90358    38.35537
   28    27 S   H    _HN3    25     1.01538   119.61491    -3.24275
   29    24 S   S    _SG2    35     1.82933   111.16145   -63.67621
   30    27 S   CT   _CA3    26     1.45282   123.32376   177.22547
   31    30 S   HC   HA31    27     1.09546   107.50658   -65.01996
   32    30 S   HC   HA32    28     1.09554   108.01160    51.45065
   33    29 S   CT   _C17    36     1.91208   101.55780   170.43374
   34    30 S   CO3  _C3_    29     1.52987   114.01314   173.44710
   35    34 S   O2Z  _O31    30     1.26389   116.07023    -0.65998
   36    34 S   O2Z  _O32    31     1.26423   114.42236   179.40620
   37    33 S   CM   _C4_    37     1.50582   104.18535   -69.06282
   38    37 S   HC   _H23    38     1.08166   124.01717    86.76920
   39    33 S   CT   _C12    70     1.53001   108.88665    62.81420
   40    39 S   HC   _H34    71     1.09522   111.87131   -57.90424
   41    39 S   HC   _H35    72     1.09610   110.89117  -173.66361
   42    37 S   CMA  _C5_    39     1.35094   111.55006   -89.45208
   43    42 S   OM   _O19    40     1.25540   135.06204   177.10268
   44    42 S   CT   _C7_    41     1.53262   109.43016    -4.71410
   45    44 S   HC   _H24    42     1.09697   111.00794    97.66515
   46    44 S   HC   _H25    43     1.09737   113.08944  -140.67361
   47    33 S   CT   _C18    44     1.57201   114.18619  -176.13031
   48    47 S   CT   _C16    45     1.54983   109.09872   -55.08158
   49    48 S   HC   _H40    46     1.09699   108.26512    57.68240
   50    47 S   CT   _C20    77     1.57641   113.15383  -177.02020
   51    50 S   HC   _H41    78     1.09168   113.53267    70.44846
   52    50 S   HC   _H42    79     1.09544   112.75587   -50.10880
   53    50 S   HC   _H43    80     1.09575   110.75114  -169.21531
   54    48 S   CT   _C11    47     1.53723   114.55101   173.92356
   55    54 S   HC   _H32    48     1.09440   111.11384    60.36641
   56    54 S   HC   _H33    49     1.09616   109.91875   -57.52512
   57    54 S   CT   _C13    50     1.53065   110.89156  -177.83120
   58    57 S   HC   _H36    51     1.09868   109.30840    66.54060
   59    57 S   HC   _H37    52     1.09751   109.75726  -178.78840
   60    57 S   CT   _C19    53     1.54159   112.92652   -55.25082
   61    60 S   CT   _C14    54     1.54587   109.48391    55.07387
   62    61 S   HC   _H38    55     1.10131   107.78384    60.55896
   63    60 S   CT   _C21    73     1.54263   109.41555   -71.73592
   64    63 S   HC   _H44    74     1.09470   111.97248  -171.53499
   65    63 S   HC   _H45    75     1.09256   113.12913    65.95658
   66    63 S   HC   _H46    76     1.09693   110.17401   -54.72825
   67    61 S   CT   _C9_    56     1.52539   108.71996   175.06700
   68    67 S   HC   _H28    57     1.09551   111.16413  -176.56083
   69    67 S   HC   _H29    58     1.09555   110.90391    65.54603
   70    48 S   CT   _C15    65     1.56715   110.54806   -59.63673
   71    70 S   HC   _H39    66     1.09535   108.77524   -69.46420
   72    67 S   CT   _C8_    59     1.51970   110.05645   -56.85702
   73    72 S   HC   _H26    60     1.09692   109.06829   -78.96377
   74    72 S   HC   _H27    61     1.09588   108.71805   163.91159
   75    70 S   CT   _C10    67     1.55385   113.24565    47.69283
   76    75 S   HC   _H30    68     1.09706   109.18063  -163.98937
   77    75 S   HC   _H31    69     1.09654   109.27134    80.81120
   78    72 S   CO4  _C6_    62     1.50921   116.53914    41.38086
   79    78 S   O    _O20    63     1.22897   121.10587   159.91331
   80    60 S   OS   _O21    64     1.45232   106.62882   173.83455
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  22   2   1   1  13   5  13   6   5   7   4  11   4   3  14  20
   9   5   2   1   1  12   6   5  13   5   4  16  18   9   7   3
   2   1  11   6   5   6   3   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    47    48    75    39    40    41    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    54    70    75    76    77    39    40    41    50    51    52    53  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    48    75    39    40    41    50  
   42    43    44    47    39  
   40    41    50    42    44    47    48    61    70    71    75    76    77  
   41    47    70    75    76    77  
   47    70    75    76    77  
   43    44    45    46    47    48    50  
   44    45    46    47  
   45    46    47    48    49    54    70    50    51    52    53  
   46    47    48    50  
   47    48    50  
   48    49    54    55    56    57    61    70    71    75    50    51    52    53  
   49    54    55    56    57    58    59    60    61    62    67    70    71    75    76    77    50    51    52    53  
   54    55    56    57    61    70    71    75    50  
   51    52    53    54    70  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    80    70    71    75    63  
   56    57    58    59    60    70  
   57    58    59    60    70  
   58    59    60    61    62    67    78    80    70    63    64    65    66  
   59    60    61    80    63  
   60    61    80    63  
   61    62    67    68    69    72    78    79    80    70    71    75    63    64    65    66  
   62    67    68    69    72    73    74    78    80    70    71    75    76    77    63    64    65    66  
   67    68    69    72    80    70    71    75    63  
   64    65    66    67    70    78    80  
   65    66    80  
   66    80  
   80  
   68    69    72    73    74    78    79    80    70    71    75  
   69    72    73    74    78    70  
   72    73    74    78    70  
   71    75    76    77    72    80  
   75    76    77  
   73    74    78    79    80  
   74    78    79    80  
   78    79    80  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    70   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   268.000  1.529
   60    80   320.000  1.410
   60    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   268.000  1.529
   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    78   317.000  1.522
   78    79   570.000  1.229
   78    80   214.000  1.327
   70    71   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    47    44    58.35000  112.70000
   33    47    48    58.35000  112.70000
   33    47    50    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    58.35000  112.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    33    37    70.00000  112.02700
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    54    58.35000  112.70000
   47    48    70    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    70    61    58.35000  112.70000
   48    70    71    37.50000  110.70000
   48    70    75    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    58.35000  112.70000
   57    60    80    50.00000  109.50000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    61    62    37.50000  110.70000
   60    61    67    58.35000  112.70000
   60    61    70    58.35000  112.70000
   60    80    78    83.00000  116.90000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    75    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    78    63.00000  111.10000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    78    79    80.00000  120.40000
   72    78    80    81.00000  111.40000
   74    72    73    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   80    60    61    50.00000  109.50000
   80    78    79    83.00000  123.40000
   70    48    49    37.50000  110.70000
   70    48    54    58.35000  112.70000
   70    61    62    37.50000  110.70000
   70    61    67    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    39    58.35000  112.70000
   75    70    71    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    41    37.50000  110.70000
   77    75    76    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    60    61    58.35000  112.70000
   63    60    80    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   50    47    48    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.44750  1.0 1.0
   29    33    47    48  -0.17800 -1.0 2.0
   29    33    47    48   0.20200  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    44   7.00000 -1.0 2.0
   33    47    48    49   0.15000  1.0 3.0
   33    47    48    54   0.56750  1.0 1.0
   33    47    48    54  -0.07550 -1.0 2.0
   33    47    48    54   0.20000  1.0 3.0
   33    47    48    70   0.56750  1.0 1.0
   33    47    48    70  -0.07550 -1.0 2.0
   33    47    48    70   0.20000  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    53   0.15000  1.0 3.0
   37    33   -47    44   0.34400  1.0 1.0
   37    33   -47    44   0.09450 -1.0 2.0
   37    33   -47    44   0.11100  1.0 3.0
   37    33    47    48   0.34400  1.0 1.0
   37    33    47    48   0.09450 -1.0 2.0
   37    33    47    48   0.11100  1.0 3.0
   37    33    47    50   0.34400  1.0 1.0
   37    33    47    50   0.09450 -1.0 2.0
   37    33    47    50   0.11100  1.0 3.0
   37    33    39    75   0.34400  1.0 1.0
   37    33    39    75   0.09450 -1.0 2.0
   37    33    39    75   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44   -47    33   0.34400  1.0 1.0
   42    44   -47    33   0.09450 -1.0 2.0
   42    44   -47    33   0.11100  1.0 3.0
   42    44    47    48   0.34400  1.0 1.0
   42    44    47    48   0.09450 -1.0 2.0
   42    44    47    48   0.11100  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    54   0.56750  1.0 1.0
   44    47    48    54  -0.07550 -1.0 2.0
   44    47    48    54   0.20000  1.0 3.0
   44    47    48    70   0.56750  1.0 1.0
   44    47    48    70  -0.07550 -1.0 2.0
   44    47    48    70   0.20000  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.15000  1.0 3.0
   44    47    50    53   0.15000  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    42   0.09850  1.0 1.0
   47    33   -37    42   0.15250 -1.0 2.0
   47    33   -37    42  -0.50650  1.0 3.0
   47    33    39    75   0.56750  1.0 1.0
   47    33    39    75  -0.07550 -1.0 2.0
   47    33    39    75   0.20000  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    41   0.15000  1.0 3.0
   47    48    54    55   0.15000  1.0 3.0
   47    48    54    56   0.15000  1.0 3.0
   47    48    54    57   0.56750  1.0 1.0
   47    48    54    57  -0.07550 -1.0 2.0
   47    48    54    57   0.20000  1.0 3.0
   47    48    70    61   0.56750  1.0 1.0
   47    48    70    61  -0.07550 -1.0 2.0
   47    48    70    61   0.20000  1.0 3.0
   47    48    70    71   0.15000  1.0 3.0
   47    48   -70    75   0.56750  1.0 1.0
   47    48   -70    75  -0.07550 -1.0 2.0
   47    48   -70    75   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   48    54    57    58   0.15000  1.0 3.0
   48    54    57    59   0.15000  1.0 3.0
   48    54    57    60   0.56750  1.0 1.0
   48    54    57    60  -0.07550 -1.0 2.0
   48    54    57    60   0.20000  1.0 3.0
   48    70    75    76   0.15000  1.0 3.0
   48    70    75    77   0.15000  1.0 3.0
   48    70    75    39   0.56750  1.0 1.0
   48    70    75    39  -0.07550 -1.0 2.0
   48    70    75    39   0.20000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   49    48    70    61   0.15000  1.0 3.0
   49    48    70    71   0.15000  1.0 3.0
   49    48    70    75   0.15000  1.0 3.0
   54    48    70    61   0.56750  1.0 1.0
   54    48    70    61  -0.07550 -1.0 2.0
   54    48    70    61   0.20000  1.0 3.0
   54    48    70    71   0.15000  1.0 3.0
   54    48    70    75   0.56750  1.0 1.0
   54    48    70    75  -0.07550 -1.0 2.0
   54    48    70    75   0.20000  1.0 3.0
   54    57   -60    61   0.56750  1.0 1.0
   54    57   -60    61  -0.07550 -1.0 2.0
   54    57   -60    61   0.20000  1.0 3.0
   54    57    60    80   0.62750  1.0 1.0
   54    57    60    80  -0.30950 -1.0 2.0
   54    57    60    80   0.27300  1.0 3.0
   54    57    60    63   0.56750  1.0 1.0
   54    57    60    63  -0.07550 -1.0 2.0
   54    57    60    63   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    60    61    62   0.15000  1.0 3.0
   57    60    61    67   0.56750  1.0 1.0
   57    60    61    67  -0.07550 -1.0 2.0
   57    60    61    67   0.20000  1.0 3.0
   57    60    61    70   0.56750  1.0 1.0
   57    60    61    70  -0.07550 -1.0 2.0
   57    60    61    70   0.20000  1.0 3.0
   57    60    80    78  -0.25900  1.0 1.0
   57    60    80    78  -0.47000 -1.0 2.0
   57    60    80    78   0.11750  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    80   0.23400  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    80   0.23400  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    61    67    68   0.15000  1.0 3.0
   60    61    67    69   0.15000  1.0 3.0
   60    61    67    72   0.56750  1.0 1.0
   60    61    67    72  -0.07550 -1.0 2.0
   60    61    67    72   0.20000  1.0 3.0
   60    61   -70    48   0.56750  1.0 1.0
   60    61   -70    48  -0.07550 -1.0 2.0
   60    61   -70    48   0.20000  1.0 3.0
   60    61    70    71   0.15000  1.0 3.0
   60    61    70    75   0.56750  1.0 1.0
   60    61    70    75  -0.07550 -1.0 2.0
   60    61    70    75   0.20000  1.0 3.0
   61    60    80    78  -0.25900  1.0 1.0
   61    60    80    78  -0.47000 -1.0 2.0
   61    60    80    78   0.11750  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67   -72    78  -0.95700  1.0 1.0
   61    67   -72    78  -0.18200 -1.0 2.0
   61    67   -72    78   0.29450  1.0 3.0
   61    70    75    76   0.15000  1.0 3.0
   61    70    75    77   0.15000  1.0 3.0
   61    70    75    39   0.56750  1.0 1.0
   61    70    75    39  -0.07550 -1.0 2.0
   61    70    75    39   0.20000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    70    48   0.15000  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    75   0.15000  1.0 3.0
   67    61    70    48   0.56750  1.0 1.0
   67    61    70    48  -0.07550 -1.0 2.0
   67    61    70    48   0.20000  1.0 3.0
   67    61    70    71   0.15000  1.0 3.0
   67    61    70    75   0.56750  1.0 1.0
   67    61    70    75  -0.07550 -1.0 2.0
   67    61    70    75   0.20000  1.0 3.0
   67    72    78    79   0.30150 -1.0 2.0
   67    72    78    80   0.36750  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    78  -0.11250  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    78  -0.11250  1.0 3.0
   72    78   -80    60   1.63150  1.0 1.0
   72    78   -80    60   2.92000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   74    72    78    79   0.00000  1.0 1.0
   74    72    78    80   0.00000  1.0 1.0
   79    78    80    60   3.00000 -1.0 2.0
   80    60    61    62   0.23400  1.0 3.0
   80    60   -61    67   0.62750  1.0 1.0
   80    60   -61    67  -0.30950 -1.0 2.0
   80    60   -61    67   0.27300  1.0 3.0
   80    60    61    70   0.62750  1.0 1.0
   80    60    61    70  -0.30950 -1.0 2.0
   80    60    61    70   0.27300  1.0 3.0
   80    60    63    64   0.23400  1.0 3.0
   80    60    63    65   0.23400  1.0 3.0
   80    60    63    66   0.23400  1.0 3.0
   70    48    54    55   0.15000  1.0 3.0
   70    48    54    56   0.15000  1.0 3.0
   70    48   -54    57   0.56750  1.0 1.0
   70    48   -54    57  -0.07550 -1.0 2.0
   70    48   -54    57   0.20000  1.0 3.0
   70    61    67    68   0.15000  1.0 3.0
   70    61    67    69   0.15000  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   70    75   -39    33   0.56750  1.0 1.0
   70    75   -39    33  -0.07550 -1.0 2.0
   70    75   -39    33   0.20000  1.0 3.0
   70    75    39    40   0.15000  1.0 3.0
   70    75    39    41   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    39   0.15000  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    47    44   0.56750  1.0 1.0
   39    33    47    44  -0.07550 -1.0 2.0
   39    33    47    44   0.20000  1.0 3.0
   39    33   -47    48   0.56750  1.0 1.0
   39    33   -47    48  -0.07550 -1.0 2.0
   39    33   -47    48   0.20000  1.0 3.0
   39    33    47    50   0.56750  1.0 1.0
   39    33    47    50  -0.07550 -1.0 2.0
   39    33    47    50   0.20000  1.0 3.0
   63    60    61    62   0.15000  1.0 3.0
   63    60    61    67   0.56750  1.0 1.0
   63    60    61    67  -0.07550 -1.0 2.0
   63    60    61    67   0.20000  1.0 3.0
   63    60    61    70   0.56750  1.0 1.0
   63    60    61    70  -0.07550 -1.0 2.0
   63    60    61    70   0.20000  1.0 3.0
   63    60    80    78  -0.25900  1.0 1.0
   63    60    80    78  -0.47000 -1.0 2.0
   63    60    80    78   0.11750  1.0 3.0
   50    47    48    49   0.15000  1.0 3.0
   50    47    48    54   0.56750  1.0 1.0
   50    47    48    54  -0.07550 -1.0 2.0
   50    47    48    54   0.20000  1.0 3.0
   50    47    48    70   0.56750  1.0 1.0
   50    47    48    70  -0.07550 -1.0 2.0
   50    47    48    70   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
END
