* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    222     432
    1     0 S   NP   _N1_     1    29.11100    94.33866   -25.79475
    2     1 S   H    _HN1     2     1.02795   119.97484  -105.92895
    3     1 S   H    _H1_     3     1.02946    85.58329     2.76987
    4     1 S   H    _H2_     4     1.02826    21.85973  -166.90194
    5     1 S   CT   _CA1     5     1.50129   116.47003   113.39897
    6     5 S   HC   _HA1     6     1.09574   105.14585    82.32702
    7     5 S   CO3  _C1_     7     1.53763   112.50273   -37.85053
    8     7 S   O2Z  _O11     8     1.26376   115.00179   -41.60180
    9     7 S   O2Z  _O12     9     1.26238   114.94250   137.39518
   10     5 S   CT   _CB1    10     1.53057   107.40114  -159.70937
   11    10 S   HC   HB11    11     1.09842   109.29671   -49.32193
   12    10 S   HC   HB12    12     1.09809   110.48478    67.26621
   13    10 S   CT   _CG1    13     1.53024   112.65863  -170.25965
   14    13 S   HC   HG11    14     1.09567   110.74639   -68.14560
   15    13 S   HC   HG12    15     1.09670   109.67980    51.10415
   16    13 S   C    _CD1    16     1.51814   111.95450   171.57862
   17    16 S   O    _OE1    17     1.22757   123.15884    13.45199
   18    16 S   N    _N2_    18     1.38638   111.85027  -166.52055
   19    18 S   H    _HN2    19     1.01564   118.98475     0.87760
   20    18 S   CT1  _CA2    20     1.46228   123.38341   176.13862
   21    20 S   HC   _HA2    21     1.09742   109.32454     7.71755
   22    20 S   C    _C2_    22     1.53663   108.60473  -107.78394
   23    22 S   O    _O2_    23     1.23068   122.32332  -146.97721
   24    20 S   CT   _CB2    32     1.53249   111.70027   129.76141
   25    24 S   HC   HB21    33     1.09591   110.27759    56.63347
   26    24 S   HC   HB22    34     1.09460   109.98922   175.70947
   27    22 S   N    _N3_    24     1.38340   113.78905    40.37865
   28    27 S   H    _HN3    25     1.01541   119.61675    -2.82383
   29    24 S   S    _SG2    35     1.82623   111.55954   -64.08812
   30    27 S   CT   _CA3    26     1.45280   123.30293   177.37266
   31    30 S   HC   HA31    27     1.09546   107.47173   -65.92570
   32    30 S   HC   HA32    28     1.09554   108.05059    50.54839
   33    29 S   CT   _C16    36     1.87564    99.53084  -176.41215
   34    33 S   HC   _H3_    37     1.09956   103.86619    -8.76067
   35    30 S   CO3  _C3_    29     1.52984   114.02478   172.57855
   36    35 S   O2Z  _O31    30     1.26387   116.08353    -0.64011
   37    35 S   O2Z  _O32    31     1.26427   114.41895   179.42631
   38    33 S   CT   _C14    38     1.56567   111.48950   102.84696
   39    38 S   HC   _H34    39     1.08767   106.87692  -177.09027
   40    33 S   CT   _C17    63     1.59093   113.01095  -121.29797
   41    40 S   OM   _O18    64     1.31852   111.30450   -57.77251
   42    38 S   CT   _C13    40     1.54359   120.45614    54.68323
   43    42 S   HC   _H33    41     1.09401   112.90694    20.51969
   44    40 S   CT   _C20    65     1.56106   108.71519    58.63325
   45    44 S   HC   _H43    66     1.09685   113.52486   -62.78613
   46    44 S   HC   _H44    67     1.09921   111.81213   177.36968
   47    44 S   HC   _H45    68     1.09698   110.54166    58.11487
   48    42 S   CM   _C6_    42     1.49872    99.74630   -96.44095
   49    42 S   CT   _C15    49     1.56810   115.36108   148.19602
   50    49 S   HC   _H35    50     1.09957   108.15677   142.67414
   51    48 S   CO4  _C7_    43     1.47223   109.53330   -23.23580
   52    51 S   O    _O19    44     1.21716   127.21232  -167.93165
   53    48 S   CM   _C8_    46     1.33602   128.22870   154.12652
   54    53 S   HC   _H25    47     1.08489   120.68828     1.31239
   55    53 S   HC   _H26    48     1.08494   121.72620  -178.40259
   56    49 S   CT   _C11    51     1.55361   115.44462   -99.44777
   57    56 S   HC   _H29    52     1.09863   106.37711   -84.16021
   58    56 S   HC   _H30    53     1.09694   110.82957   161.12581
   59    49 S   OS   _O22    73     1.44838   110.00528    25.39074
   60    38 S   OS   _O21    45     1.45776   108.40769   -66.30298
   61    56 S   CM   _C5_    54     1.51306   116.68405    36.32215
   62    59 S   CO4  _C9_    74     1.36181   118.08702   149.78549
   63    62 S   O    _O20    75     1.22300   126.50986     0.75899
   64    61 S   CM   _C4_    55     1.34497   120.14966    52.77825
   65    64 S   HC   _H24    56     1.08798   118.12537     8.77602
   66    61 S   CT   _C18    69     1.50475   114.52850  -123.61053
   67    66 S   HC   _H37    70     1.09569   109.66706   -57.91094
   68    66 S   HC   _H38    71     1.09156   113.74133  -177.20705
   69    66 S   HC   _H39    72     1.09479   110.43991    61.14313
   70    62 S   CT   _C19    76     1.49827   109.37794  -179.37725
   71    70 S   HC   _H40    77     1.09291   109.80737   -61.45626
   72    70 S   HC   _H41    78     1.09375   109.37589   179.44609
   73    70 S   HC   _H42    79     1.09298   109.81220    60.41741
   74    64 S   CT   _C10    57     1.49540   127.91813  -165.45457
   75    74 S   HC   _H27    58     1.09775   107.45780  -132.27100
   76    74 S   HC   _H28    59     1.09328   113.07228   -16.67972
   77    74 S   CT   _C12    60     1.55075   112.85391   108.63744
   78    77 S   HC   _H31    61     1.09894   109.03695    61.90021
   79    77 S   HC   _H32    62     1.10064   104.45283   172.07197
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  16   7  14   8  16   8   7   3   2   1  10
  14   6   5   2   3   1   1  12   5   4   7   1  10   5   4  11
   5   4   2   1   1   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    77    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    51    60    49    74    77    78    79    40    41    44    45    46    47  
   38    39    42    60    77    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    51    52    60    53    49    50    56    77    40    41    44    59  
   42    43    48    51    60    49    40  
   41    44    45    46    47    42    60    64    74    75    76    77    78    79  
   44    45    46    47    74    77    78    79  
   43    48    51    52    60    53    54    55    49    50    56    57    58    61    59    62  
   48    51    60    53    49    50    56    59  
   45    46    47    74    77    78    79  
   46    47    77  
   47    77  
   77  
   51    52    60    53    54    55    49    50    56    59  
   50    56    57    58    61    64    66    59    62    63    70    51    53    60  
   56    57    58    61    59    62  
   52    60    53    54    55  
   60    53  
   54    55    60  
   55  
    0  
   57    58    61    64    65    74    66    67    68    69    59    62  
   58    61    64    66    59  
   61    64    66    59  
   62    63    70    71    72    73    61  
    0  
   64    65    74    75    76    77    66    67    68    69  
   63    70    71    72    73  
   70    71    72    73  
   65    74    75    76    77    78    79    66    67    68    69  
   74    75    76    77    66  
   67    68    69    74  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    51   320.000  1.462
   48    53   549.000  1.340
   51    52   570.000  1.229
   51    60   214.000  1.327
   53    54   340.000  1.080
   53    55   340.000  1.080
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    64   549.000  1.340
   61    66   317.000  1.510
   64    65   340.000  1.080
   64    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    77    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    51    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    51    65.00000  116.34900
   42    48    53    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    56    58.35000  112.70000
   42    49    59    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    51    52    80.00000  123.72100
   48    51    60    90.00000  111.29400
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    51    52    83.00000  123.40000
   53    48    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    70.00000  112.02700
   49    59    62    83.00000  116.90000
   56    49    50    37.50000  110.70000
   56    61    64    70.00000  124.00000
   56    61    66    65.00000  117.92700
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    74    70.00000  124.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   64    74    75    35.00000  109.50000
   64    74    76    35.00000  109.50000
   64    74    77    70.00000  112.02700
   74    64    65    35.00000  117.00000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    40    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    40    41    50.00000  109.50000
   77    40    44    58.35000  112.70000
   79    77    78    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    77    78    37.50000  110.70000
   40    77    79    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    61    64    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    70    81.00000  111.40000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   70    62    63    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    77   0.44750  1.0 1.0
   29    33    40    77  -0.17800 -1.0 2.0
   29    33    40    77   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    51  -0.25900  1.0 1.0
   33    38    60    51  -0.47000 -1.0 2.0
   33    38    60    51   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    77   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    77   0.56750  1.0 1.0
   38    33    40    77  -0.07550 -1.0 2.0
   38    33    40    77   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    51   0.09700  1.0 1.0
   38    42   -48    51   0.15600 -1.0 2.0
   38    42   -48    51  -0.50800  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    56   0.56750  1.0 1.0
   38    42    49    56  -0.07550 -1.0 2.0
   38    42    49    56   0.20000  1.0 3.0
   38    42    49    59   0.62750  1.0 1.0
   38    42    49    59  -0.30950 -1.0 2.0
   38    42    49    59   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    51   0.08050  1.0 3.0
   42    38   -60    51  -0.25900  1.0 1.0
   42    38   -60    51  -0.47000 -1.0 2.0
   42    38   -60    51   0.11750  1.0 3.0
   42    48    51    52  -0.64400  1.0 1.0
   42    48    51    52   0.26850 -1.0 2.0
   42    48   -51    60  -0.15000  1.0 1.0
   42    48   -51    60   0.89550 -1.0 2.0
   42    48   -51    60  -0.06900  1.0 3.0
   42    48    53    54   7.00000 -1.0 2.0
   42    48    53    55   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    61   0.34400  1.0 1.0
   42    49    56    61   0.09450 -1.0 2.0
   42    49    56    61   0.11100  1.0 3.0
   42    49    59    62  -0.25900  1.0 1.0
   42    49    59    62  -0.47000 -1.0 2.0
   42    49    59    62   0.11750  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    59   0.23400  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    56   0.34400  1.0 1.0
   48    42    49    56   0.09450 -1.0 2.0
   48    42    49    56   0.11100  1.0 3.0
   48    42    49    59   0.61850  1.0 1.0
   48    42    49    59  -0.22750 -1.0 2.0
   48    42    49    59   0.15300  1.0 3.0
   48    51   -60    38   2.00000 -1.0 2.0
   51    48    53    54   7.00000 -1.0 2.0
   51    48    53    55   7.00000 -1.0 2.0
   52    51    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   53    48    51    52   1.00000 -1.0 2.0
   53    48    51    60  -0.56150  1.0 1.0
   53    48    51    60   2.19150 -1.0 2.0
   49    42    48    51   0.09700  1.0 1.0
   49    42    48    51   0.15600 -1.0 2.0
   49    42    48    51  -0.50800  1.0 3.0
   49    42    48    53   0.09850  1.0 1.0
   49    42    48    53   0.15250 -1.0 2.0
   49    42    48    53  -0.50650  1.0 3.0
   49    56    61    64   0.09850  1.0 1.0
   49    56    61    64   0.15250 -1.0 2.0
   49    56    61    64  -0.50650  1.0 3.0
   49    56    61    66   0.46850  1.0 1.0
   49    56    61    66   0.08550 -1.0 2.0
   49    56    61    66   0.09800  1.0 3.0
   49    59    62    63   3.00000 -1.0 2.0
   49    59    62    70   1.63150  1.0 1.0
   49    59    62    70   2.92000 -1.0 2.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   50    49    59    62   0.08050  1.0 3.0
   56    49    59    62  -0.25900  1.0 1.0
   56    49    59    62  -0.47000 -1.0 2.0
   56    49    59    62   0.11750  1.0 3.0
   56    61    64    65   7.00000 -1.0 2.0
   56    61    64    74   7.00000 -1.0 2.0
   56    61    66    67   0.34800  1.0 3.0
   56    61    66    68   0.34800  1.0 3.0
   56    61    66    69   0.34800  1.0 3.0
   57    56    61    64   0.00000  1.0 1.0
   57    56    61    66   0.34800  1.0 3.0
   58    56    61    64   0.00000  1.0 1.0
   58    56    61    66   0.34800  1.0 3.0
   61    64    74    75   0.00000  1.0 1.0
   61    64    74    76   0.00000  1.0 1.0
   61    64    74    77   0.09850  1.0 1.0
   61    64    74    77   0.15250 -1.0 2.0
   61    64    74    77  -0.50650  1.0 3.0
   64    61    66    67   0.00000  1.0 1.0
   64    61    66    68   0.00000  1.0 1.0
   64    61    66    69   0.00000  1.0 1.0
   64    74    77    78   0.15000  1.0 3.0
   64    74    77    79   0.15000  1.0 3.0
   64    74    77    40   0.34400  1.0 1.0
   64    74    77    40   0.09450 -1.0 2.0
   64    74    77    40   0.11100  1.0 3.0
   65    64    74    75   0.33100  1.0 3.0
   65    64    74    76   0.33100  1.0 3.0
   65    64    74    77   0.00000  1.0 1.0
   74    77    40    33   0.56750  1.0 1.0
   74    77    40    33  -0.07550 -1.0 2.0
   74    77    40    33   0.20000  1.0 3.0
   74    77    40    41   0.62750  1.0 1.0
   74    77    40    41  -0.30950 -1.0 2.0
   74    77    40    41   0.27300  1.0 3.0
   74    77    40    44   0.56750  1.0 1.0
   74    77    40    44  -0.07550 -1.0 2.0
   74    77    40    44   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    40   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    40   0.15000  1.0 3.0
   77    40    44    45   0.15000  1.0 3.0
   77    40    44    46   0.15000  1.0 3.0
   77    40    44    47   0.15000  1.0 3.0
   78    77    40    33   0.15000  1.0 3.0
   78    77    40    41   0.23400  1.0 3.0
   78    77    40    44   0.15000  1.0 3.0
   79    77    40    33   0.15000  1.0 3.0
   79    77    40    41   0.23400  1.0 3.0
   79    77    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   66    61    64    65   7.00000 -1.0 2.0
   66    61    64    74   7.00000 -1.0 2.0
   59    49    56    57   0.23400  1.0 3.0
   59    49    56    58   0.23400  1.0 3.0
   59    49    56    61   0.61850  1.0 1.0
   59    49    56    61  -0.22750 -1.0 2.0
   59    49    56    61   0.15300  1.0 3.0
   59    62    70    71   0.00000  1.0 1.0
   59    62    70    72   0.00000  1.0 1.0
   59    62    70    73   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    73   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    51    48    53   1.10000 -1.0 2.0
   48    60    51    52  10.50000 -1.0 2.0
   54    55    53    48   1.10000 -1.0 2.0
   56    66    61    64   1.10000 -1.0 2.0
   74    65    64    61   1.10000 -1.0 2.0
   59    70    62    63  10.50000 -1.0 2.0
END
