* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    148    204     422
    1     0 S   NP   _N1_     1    28.69191    95.00270   -21.55097
    2     1 S   H    _HN1     2     1.02781    96.11050   -95.37048
    3     1 S   H    _H1_     3     1.02956    82.12649    12.37452
    4     1 S   H    _H2_     4     1.02822    33.28655   150.95582
    5     1 S   CT   _CA1     5     1.50164   142.04345   125.53210
    6     5 S   HC   _HA1     6     1.09570   105.18188    73.81315
    7     5 S   CO3  _C1_     7     1.53818   112.48529   -46.32040
    8     7 S   O2Z  _O11     8     1.26378   115.01277   -39.18065
    9     7 S   O2Z  _O12     9     1.26243   114.98916   139.93139
   10     5 S   CT   _CB1    10     1.53065   107.34152  -168.20809
   11    10 S   HC   HB11    11     1.09828   109.33866   -49.04087
   12    10 S   HC   HB12    12     1.09817   110.38938    67.49612
   13    10 S   CT   _CG1    13     1.52987   112.75240  -170.07009
   14    13 S   HC   HG11    14     1.09557   110.56767   -64.05588
   15    13 S   HC   HG12    15     1.09659   109.96002    55.17645
   16    13 S   C    _CD1    16     1.51790   112.23729   175.35506
   17    16 S   O    _OE1    17     1.22693   123.26463    -2.76810
   18    16 S   N    _N2_    18     1.38626   111.64560   177.86925
   19    18 S   H    _HN2    19     1.01567   118.94912     1.99959
   20    18 S   CT1  _CA2    20     1.46215   123.42117   179.05229
   21    20 S   HC   _HA2    21     1.09612   109.24997     1.50037
   22    20 S   C    _C2_    22     1.53496   108.79802  -113.88451
   23    22 S   O    _O2_    23     1.23070   122.25264  -148.67798
   24    20 S   CT   _CB2    32     1.53316   111.32848   123.79336
   25    24 S   HC   HB21    33     1.09644   109.71878    57.40732
   26    24 S   HC   HB22    34     1.09542   111.47267   175.32643
   27    22 S   N    _N3_    24     1.38329   113.74663    38.79768
   28    27 S   H    _HN3    25     1.01600   119.53794    -3.33589
   29    24 S   S    _SG2    35     1.82611   113.07960   -61.96381
   30    27 S   CT   _CA3    26     1.45281   123.15350   177.03377
   31    30 S   HC   HA31    27     1.09553   107.49344   -64.43763
   32    30 S   HC   HA32    28     1.09558   107.98345    51.97277
   33    29 S   CT   _C11    36     1.82651    99.50007   -80.58939
   34    33 S   HC   _H13    37     1.09300   108.77080    50.31561
   35    33 S   HC   _H14    38     1.09556   109.12671   -65.95215
   36    30 S   CO3  _C3_    29     1.52941   114.14810   173.95042
   37    36 S   O2Z  _O31    30     1.26363   116.08571    -1.82810
   38    36 S   O2Z  _O32    31     1.26432   114.39928   178.24721
   39    33 S   CM   _C9_    39     1.52129   110.12770   173.59942
   40    39 S   CMA  _C8_    40     1.36555   122.89094  -110.07795
   41    40 S   OM   _O34    41     1.26955   125.49376    -2.72599
   42    39 S   CT   _C10    82     1.51597   113.81820    71.81297
   43    42 S   HC   _H10    83     1.09403   110.67626   -76.03781
   44    42 S   HC   _H11    84     1.09562   110.16857    43.81505
   45    42 S   HC   _H12    85     1.09357   113.41249   162.52609
   46    40 S   OS   _O33    42     1.41911   111.66112   177.50041
   47    46 S   CT   _C7_    43     1.43490   113.80393  -136.72898
   48    47 S   HC   _H8_    44     1.09875   110.96433    29.64476
   49    47 S   HC   _H9_    45     1.09615   108.49807   -88.04221
   50    47 S   CT   _C6_    46     1.55223   110.09860   150.33313
   51    50 S   CT   _C5_    47     1.55692   111.84368    59.14864
   52    51 S   HC   _H6_    48     1.09770   109.51501   -60.33982
   53    51 S   HC   _H7_    49     1.09779   109.53028  -175.82829
   54    50 S   CT   _C12    54     1.55665   109.67573   -58.96763
   55    54 S   HC   _H15    55     1.09646   110.95505  -172.02422
   56    54 S   HC   _H16    56     1.09636   110.22511    68.38630
   57    50 S   CT   _C17    68     1.54967   107.40427  -177.91606
   58    57 S   HC   _H22    69     1.09721   110.52942    62.37643
   59    57 S   HC   _H23    70     1.09651   110.64647   -57.14653
   60    51 S   CT   _C4_    50     1.52366   115.72777    61.88409
   61    60 S   HC   _H3_    51     1.09344   111.72675    61.27615
   62    60 S   HC   _H4_    52     1.09526   109.67692  -179.80820
   63    60 S   HC   _H5_    53     1.09327   111.75551   -60.83900
   64    54 S   OS   _O35    57     1.43819   109.94765   -52.07448
   65    57 S   OS   _O37    71     1.43755   110.01010  -177.61945
   66    64 S   CO4  _C13    58     1.35831   116.33421   166.76759
   67    66 S   O    _O36    59     1.22256   125.96424     5.71330
   68    65 S   CO4  _C18    72     1.35897   115.99684   179.11265
   69    68 S   O    _O38    73     1.22246   125.91787    -0.04846
   70    66 S   CM   _C14    60     1.48911   109.35227  -173.72311
   71    68 S   CM   _C19    74     1.48976   109.41924   180.00000
   72    70 S   CM   _C15    61     1.34129   117.49399  -172.79579
   73    72 S   HC   _H17    62     1.08566   120.86995  -179.39380
   74    72 S   HC   _H18    63     1.08515   122.44875     0.61992
   75    70 S   CT   _C16    64     1.49778   120.02925     8.34671
   76    75 S   HC   _H19    65     1.09482   110.71045   -63.30049
   77    75 S   HC   _H20    66     1.09492   110.65885    57.35846
   78    75 S   HC   _H21    67     1.09440   111.67323   176.91155
   79    71 S   CM   _C20    75     1.34142   117.44124   180.00000
   80    79 S   HC   _H24    76     1.08557   120.95444  -180.00000
   81    79 S   HC   _H25    77     1.08540   122.47351     0.01978
   82    71 S   CT   _C21    78     1.49809   120.06687    -0.00000
   83    82 S   HC   _H26    79     1.09506   110.58919   -60.22302
   84    82 S   HC   _H27    80     1.09507   110.58560    60.26952
   85    82 S   HC   _H28    81     1.09538   111.89043  -179.98022
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1   7  15   5
   4  17  14   7   6  11   4   3   8   3   2   3   2   1   1   5
   5   9   3   9   3   7   7   6   2   1   3   2   1   1   6   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    50    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    57  
   48    49    50    51    52    53    60    54    55    56    64    57    58    59    65  
   49    50    51    54    57  
   50    51    54    57  
   51    52    53    60    61    62    63    54    55    56    64    66    57    58    59    65    68  
   52    53    60    61    62    63    54    55    56    64    57    58    59    65  
   53    60    61    62    63    54    57  
   60    61    62    63    54    57  
   55    56    64    66    67    70    57    58    59    65    60  
   56    64    66    57  
   64    66    57  
   58    59    65    68    69    71    60    64  
   59    65    68  
   65    68  
   61    62    63  
   62    63  
   63  
    0  
   66    67    70    72    75  
   68    69    71    79    82  
   67    70    72    73    74    75    76    77    78  
   70    72    75  
   69    71    79    80    81    82    83    84    85  
   71    79    82  
   72    73    74    75    76    77    78  
   79    80    81    82    83    84    85  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    54   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   320.000  1.410
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    70   320.000  1.462
   70    72   549.000  1.340
   70    75   317.000  1.510
   72    73   340.000  1.080
   72    74   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   320.000  1.410
   65    68   214.000  1.327
   68    69   570.000  1.229
   68    71   320.000  1.462
   71    79   549.000  1.340
   71    82   317.000  1.510
   79    80   340.000  1.080
   79    81   340.000  1.080
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    50.00000  109.50000
   47    50    51    58.35000  112.70000
   47    50    54    58.35000  112.70000
   47    50    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    53    37.50000  110.70000
   50    51    60    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    64    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    50.00000  109.50000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   54    50    51    58.35000  112.70000
   54    64    66    83.00000  116.90000
   56    54    55    33.00000  107.80000
   64    54    55    35.00000  109.50000
   64    54    56    35.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    70    90.00000  111.29400
   66    70    72    65.00000  118.96000
   66    70    75    65.00000  116.34900
   70    66    67    80.00000  123.72100
   70    72    73    35.00000  120.00000
   70    72    74    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   74    72    73    35.00000  117.00000
   75    70    72    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    54    58.35000  112.70000
   57    65    68    83.00000  116.90000
   59    57    58    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    59    35.00000  109.50000
   65    68    69    83.00000  123.40000
   65    68    71    90.00000  111.29400
   68    71    79    65.00000  118.96000
   68    71    82    65.00000  116.34900
   71    68    69    80.00000  123.72100
   71    79    80    35.00000  120.00000
   71    79    81    35.00000  120.00000
   71    82    83    35.00000  109.50000
   71    82    84    35.00000  109.50000
   71    82    85    35.00000  109.50000
   81    79    80    35.00000  117.00000
   82    71    79    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49   0.08050  1.0 3.0
   40    46    47    50  -0.46850  1.0 1.0
   40    46    47    50   0.09300 -1.0 2.0
   40    46    47    50  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    50    51   0.62750  1.0 1.0
   46    47    50    51  -0.30950 -1.0 2.0
   46    47    50    51   0.27300  1.0 3.0
   46    47    50    54   0.62750  1.0 1.0
   46    47    50    54  -0.30950 -1.0 2.0
   46    47    50    54   0.27300  1.0 3.0
   46    47    50    57   0.62750  1.0 1.0
   46    47    50    57  -0.30950 -1.0 2.0
   46    47    50    57   0.27300  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    53   0.15000  1.0 3.0
   47    50    51    60   0.56750  1.0 1.0
   47    50    51    60  -0.07550 -1.0 2.0
   47    50    51    60   0.20000  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    56   0.15000  1.0 3.0
   47    50    54    64   0.62750  1.0 1.0
   47    50    54    64  -0.30950 -1.0 2.0
   47    50    54    64   0.27300  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    65   0.62750  1.0 1.0
   47    50    57    65  -0.30950 -1.0 2.0
   47    50    57    65   0.27300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    54   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   49    47    50    57   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    54    64    66  -0.25900  1.0 1.0
   50    54    64    66  -0.47000 -1.0 2.0
   50    54    64    66   0.11750  1.0 3.0
   50    57    65    68  -0.25900  1.0 1.0
   50    57    65    68  -0.47000 -1.0 2.0
   50    57    65    68   0.11750  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    64   0.62750  1.0 1.0
   51    50    54    64  -0.30950 -1.0 2.0
   51    50    54    64   0.27300  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65   0.62750  1.0 1.0
   51    50    57    65  -0.30950 -1.0 2.0
   51    50    57    65   0.27300  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50    51    60   0.56750  1.0 1.0
   54    50    51    60  -0.07550 -1.0 2.0
   54    50    51    60   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    65   0.62750  1.0 1.0
   54    50    57    65  -0.30950 -1.0 2.0
   54    50    57    65   0.27300  1.0 3.0
   54    64    66    67   3.00000 -1.0 2.0
   54    64    66    70   2.00000 -1.0 2.0
   55    54    64    66   0.08050  1.0 3.0
   56    54    64    66   0.08050  1.0 3.0
   64    66    70    72  -0.56150  1.0 1.0
   64    66    70    72   2.19150 -1.0 2.0
   64    66    70    75  -0.15000  1.0 1.0
   64    66    70    75   0.89550 -1.0 2.0
   64    66    70    75  -0.06900  1.0 3.0
   66    70    72    73   7.00000 -1.0 2.0
   66    70    72    74   7.00000 -1.0 2.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.15000  1.0 3.0
   67    66    70    72   1.00000 -1.0 2.0
   67    66    70    75  -0.64400  1.0 1.0
   67    66    70    75   0.26850 -1.0 2.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   72    70    75    78   0.00000  1.0 1.0
   75    70    72    73   7.00000 -1.0 2.0
   75    70    72    74   7.00000 -1.0 2.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    53   0.15000  1.0 3.0
   57    50    51    60   0.56750  1.0 1.0
   57    50    51    60  -0.07550 -1.0 2.0
   57    50    51    60   0.20000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    64   0.62750  1.0 1.0
   57    50    54    64  -0.30950 -1.0 2.0
   57    50    54    64   0.27300  1.0 3.0
   57    65    68    69   3.00000 -1.0 2.0
   57    65    68    71   2.00000 -1.0 2.0
   58    57    65    68   0.08050  1.0 3.0
   59    57    65    68   0.08050  1.0 3.0
   65    68    71    79  -0.56150  1.0 1.0
   65    68    71    79   2.19150 -1.0 2.0
   65    68    71    82  -0.15000  1.0 1.0
   65    68    71    82   0.89550 -1.0 2.0
   65    68    71    82  -0.06900  1.0 3.0
   68    71    79    80   7.00000 -1.0 2.0
   68    71    79    81   7.00000 -1.0 2.0
   68    71    82    83   0.15000  1.0 3.0
   68    71    82    84   0.15000  1.0 3.0
   68    71    82    85   0.15000  1.0 3.0
   69    68    71    79   1.00000 -1.0 2.0
   69    68    71    82  -0.64400  1.0 1.0
   69    68    71    82   0.26850 -1.0 2.0
   79    71    82    83   0.00000  1.0 1.0
   79    71    82    84   0.00000  1.0 1.0
   79    71    82    85   0.00000  1.0 1.0
   82    71    79    80   7.00000 -1.0 2.0
   82    71    79    81   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   64    70    66    67  10.50000 -1.0 2.0
   66    75    70    72  15.00000 -1.0 2.0
   73    74    72    70  15.00000 -1.0 2.0
   65    71    68    69  10.50000 -1.0 2.0
   68    82    71    79  15.00000 -1.0 2.0
   80    81    79    71  15.00000 -1.0 2.0
END
