* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    143    219     425
    1     0 S   NP   _N1_     1    30.19704    89.57803   -21.12397
    2     1 S   H    _HN1     2     1.03105   127.17438    38.93327
    3     1 S   H    _H1_     3     1.02825    23.46363    74.44421
    4     1 S   H    _H2_     4     1.02773    88.34809   -72.58828
    5     1 S   CT   _CA1     5     1.50275   108.43375   174.63575
    6     5 S   HC   _HA1     6     1.09570   105.38847    36.54962
    7     5 S   CO3  _C1_     7     1.53966   112.01964   -83.59679
    8     7 S   O2Z  _O11     8     1.26390   115.23251   -51.42229
    9     7 S   O2Z  _O12     9     1.26254   114.80623   127.62585
   10     5 S   CT   _CB1    10     1.52918   106.98441   154.13656
   11    10 S   HC   HB11    11     1.09841   109.48702   -53.01994
   12    10 S   HC   HB12    12     1.09596   109.94441    62.93185
   13    10 S   CT   _CG1    13     1.53054   113.65182  -174.73668
   14    13 S   HC   HG11    14     1.09495   110.51850   -50.39403
   15    13 S   HC   HG12    15     1.09529   110.66894    69.14834
   16    13 S   C    _CD1    16     1.51761   110.11318  -171.10598
   17    16 S   O    _OE1    17     1.22856   122.42532   -34.18992
   18    16 S   N    _N2_    18     1.38491   112.67471   145.69445
   19    18 S   H    _HN2    19     1.01550   119.50446     6.15418
   20    18 S   CT1  _CA2    20     1.46036   122.86858  -171.60726
   21    20 S   HC   _HA2    21     1.09607   109.17503    -1.40556
   22    20 S   C    _C2_    22     1.53372   109.60991  -117.07714
   23    22 S   O    _O2_    23     1.23064   121.93458  -148.50248
   24    20 S   CT   _CB2    32     1.53684   111.59738   119.93889
   25    24 S   HC   HB21    33     1.09668   109.43957    71.34691
   26    24 S   HC   HB22    34     1.09583   110.60362  -171.70265
   27    22 S   N    _N3_    24     1.38417   113.72166    38.98733
   28    27 S   H    _HN3    25     1.01501   119.00228    -0.39811
   29    24 S   S    _SG2    35     1.83080   115.39745   -47.94006
   30    27 S   CT   _CA3    26     1.45439   123.31452   175.33058
   31    30 S   HC   HA31    27     1.09534   109.11592    27.17674
   32    30 S   HC   HA32    28     1.09496   107.16420   144.11783
   33    29 S   CT   _C11    36     1.82780   100.43269   -65.34890
   34    33 S   HC   _H16    37     1.09428   107.92265   -68.25186
   35    33 S   HC   _H17    38     1.09248   108.89519    50.39192
   36    30 S   CO3  _C3_    29     1.52913   113.14247   -96.23691
   37    36 S   O2Z  _O31    30     1.26397   115.38630   -46.40867
   38    36 S   O2Z  _O32    31     1.26355   115.00549   134.54777
   39    33 S   CT   _C9_    39     1.53664   110.11437   170.80292
   40    39 S   HC   _H6_    40     1.09859   109.85094    47.34214
   41    39 S   CT   _C8_    41     1.54219   111.39776   168.08992
   42    41 S   HC   _H5_    42     1.09486   108.25521   -64.45938
   43    41 S   CT   _C7_    43     1.54183   111.45577   173.34498
   44    43 S   HC   _H4_    44     1.09757   110.25632  -168.91523
   45    41 S   OH   _O36    78     1.42844   109.58857    51.78806
   46    45 S   HO   _H18    79     0.97288   107.58045  -178.55843
   47    43 S   CT   _C6_    45     1.54252   110.93170   -48.61034
   48    47 S   HC   _H3_    46     1.09757   109.58833   168.74521
   49    43 S   OS   _O37    60     1.43437   110.26611    69.51317
   50    47 S   CO   _C10    47     1.53697   110.44267    49.62887
   51    50 S   HC   _H7_    48     1.09695   110.50767    64.25205
   52    47 S   N    _N4_    52     1.46537   110.56302   -73.26922
   53    52 S   H    _H14    53     1.01632   117.11283    82.90009
   54    49 S   CO   _C12    61     1.43334   114.20062    84.00825
   55    54 S   HC   _H8_    62     1.09712   109.14203   -52.32146
   56    39 S   OS   _O34    49     1.43630   107.89998   -71.17861
   57    50 S   OH   _O35    50     1.42565   109.02344  -178.11197
   58    57 S   HO   _H15    51     0.97581   106.48401  -165.47295
   59    52 S   C    _C5_    54     1.38154   123.30690   -91.93539
   60    59 S   O    _O33    55     1.22741   125.54250    -1.20187
   61    54 S   CT   _C13    63     1.53464   107.65808  -170.89580
   62    61 S   HC   _H9_    64     1.09545   111.01937    55.58077
   63    59 S   CT   _C4_    56     1.50448   112.37448   177.88261
   64    63 S   HC   _H11    57     1.09390   110.37809    46.64393
   65    63 S   HC   _H12    58     1.09348   109.66479   166.28727
   66    63 S   HC   _H13    59     1.09342   109.40752   -73.86102
   67    61 S   CT   _C14    65     1.53246   109.07940   177.42747
   68    67 S   HC   _H10    66     1.09678   109.17601   -77.23218
   69    61 S   OH   _O42    76     1.43369   109.68092   -60.95614
   70    69 S   HO   _H21    77     0.97265   107.72509   -57.33405
   71    67 S   CM   _C15    67     1.49911   111.38493    41.71143
   72    71 S   HC   _H19    68     1.08639   117.48503   167.90537
   73    67 S   OH   _O41    74     1.42226   110.04949   165.02689
   74    73 S   HO   _H20    75     0.97222   107.89362  -177.65415
   75    71 S   CM   _C16    69     1.34327   121.96044   -12.85256
   76    54 S   OS   _O38    70     1.43740   111.39769    67.46467
   77    75 S   CO3  _C17    71     1.54553   120.56506   179.01662
   78    77 S   O2Z  _O40    72     1.26464   116.11271   -23.44919
   79    77 S   O2Z  _O39    73     1.26572   114.92690   156.59920
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  17   7   4   1  13   8
  10   7   4   9   3  12   6   2   1   1   5   4  11   7   3   2
   1   1  10   6   4   1   8   4   2   1   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    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    41    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    50    56    45  
   35    39    40    41    56  
   39    40    41    56  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    56    57    49    45    46  
   41    42    43    50    56    45  
   42    43    44    47    48    50    56    52    49    54    45    46  
   43    44    47    56    49    45    46  
   44    47    48    50    51    56    57    52    53    59    49    54    55    61    76    45    46  
   47    48    50    52    49    54    45  
   46    47    49    56  
    0  
   48    50    51    56    57    58    52    53    59    60    63    49    54  
   50    51    56    57    52    53    59    49  
   54    55    61    62    67    75    76    69    50    52  
   51    56    57    58    52    53    59  
   56    57    58    52  
   53    59    60    63    64    65    66    56    57  
   59    60    63  
   55    61    62    67    68    71    75    76    77    73    69    70  
   61    62    67    75    76    69  
   57    58  
   58  
    0  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    71    72    75    76    73    74    69    70  
   67    68    71    76    73    69    70  
   64    65    66  
   65    66  
   66  
    0  
   68    71    72    75    76    77    73    74    69    70  
   71    72    75    73    74    69  
   70    71    73    76  
    0  
   72    75    76    77    78    79    73    74  
   75    76    77    73  
   74    75  
    0  
   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   0.047500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    56   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    50   250.000  1.527
   47    52   337.000  1.449
   50    51   340.000  1.090
   50    56   320.000  1.380
   50    57   380.000  1.407
   57    58   553.000  0.945
   52    53   434.000  1.010
   52    59   490.000  1.335
   59    60   570.000  1.229
   59    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   49    54   320.000  1.380
   54    55   340.000  1.090
   54    61   250.000  1.527
   54    76   320.000  1.380
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   320.000  1.410
   67    68   340.000  1.090
   67    71   317.000  1.510
   67    73   320.000  1.410
   71    72   340.000  1.080
   71    75   549.000  1.340
   75    76   440.000  1.360
   75    77   230.000  1.545
   77    78   656.000  1.250
   77    79   656.000  1.250
   73    74   553.000  0.945
   69    70   553.000  0.945
   45    46   553.000  0.945
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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    56    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    56    50    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    50    75.00000  109.43000
   43    47    52    70.00000  110.72300
   43    49    54    60.00000  109.50000
   47    43    44    37.50000  110.70000
   47    50    51    45.00000  112.01100
   47    50    56    90.00000  108.56700
   47    50    57    90.00000  110.19100
   47    52    53    38.00000  118.40000
   47    52    59    50.00000  121.90000
   50    47    48    45.00000  108.72000
   50    57    58    70.00000  107.92000
   56    39    40    35.00000  109.50000
   56    39    41    50.00000  109.50000
   56    50    51    35.00000  109.50000
   57    50    51    60.00000  108.02500
   57    50    56   110.00000  112.08000
   52    47    48    35.00000  109.50000
   52    47    50    70.00000  110.72300
   52    59    60    80.00000  122.90000
   52    59    63    70.00000  116.60000
   59    52    53    35.00000  119.80000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   63    59    60    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    61    90.00000  108.56700
   49    54    76    92.60000  111.55000
   54    61    62    45.00000  108.72000
   54    61    67    75.00000  109.43000
   54    61    69    90.00000  111.58700
   54    76    75    85.00000  113.97000
   61    54    55    45.00000  112.01100
   61    67    68    37.50000  110.70000
   61    67    71    70.00000  112.02700
   61    67    73    50.00000  109.50000
   61    69    70    55.00000  108.50000
   67    61    62    37.50000  110.70000
   67    71    72    35.00000  117.00000
   67    71    75    70.00000  124.00000
   67    73    74    55.00000  108.50000
   71    67    68    35.00000  109.50000
   71    75    76    80.00000  120.01400
   71    75    77    55.00000  124.75400
   75    71    72    35.00000  120.00000
   75    77    78    85.00000  113.83300
   75    77    79    85.00000  113.83300
   76    54    55    35.00000  109.50000
   76    54    61    90.00000  108.56700
   77    75    76    80.00000  119.00000
   79    77    78    80.00000  126.00000
   73    67    68    35.00000  109.50000
   73    67    71    90.00000  110.39200
   69    61    62    35.00000  109.50000
   69    61    67    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    56    50   0.06250  1.0 1.0
   33    39    56    50  -0.01100 -1.0 2.0
   33    39    56    50   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    56   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    56   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.62750  1.0 1.0
   39    41    43    49  -0.30950 -1.0 2.0
   39    41    43    49   0.27300  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    56    50   0.37050  1.0 3.0
   41    39    56    50   0.06250  1.0 1.0
   41    39    56    50  -0.01100 -1.0 2.0
   41    39    56    50   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    50   3.97050  1.0 1.0
   41    43    47    52  -0.27100  1.0 1.0
   41    43    47    52  -0.01700 -1.0 2.0
   41    43    47    52  -0.48600  1.0 3.0
   41    43    49    54   0.06250  1.0 1.0
   41    43    49    54  -0.01100 -1.0 2.0
   41    43    49    54   0.28050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    56   0.62750  1.0 1.0
   43    47    50    56  -0.30950 -1.0 2.0
   43    47    50    56   0.27300  1.0 3.0
   43    47    50    57   0.86500  1.0 1.0
   43    47    50    57  -0.17500 -1.0 2.0
   43    47    50    57   0.20800  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    59  -0.43950  1.0 1.0
   43    47    52    59  -0.08100 -1.0 2.0
   43    47    52    59   0.03350  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    61   0.06250  1.0 1.0
   43    49    54    61  -0.01100 -1.0 2.0
   43    49    54    61   0.28050  1.0 3.0
   43    49    54    76  -0.53350  1.0 1.0
   43    49    54    76  -0.78350 -1.0 2.0
   43    49    54    76   0.33750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   47    43    49    54   0.06250  1.0 1.0
   47    43    49    54  -0.01100 -1.0 2.0
   47    43    49    54   0.28050  1.0 3.0
   47    50   -56    39   0.06250  1.0 1.0
   47    50   -56    39  -0.01100 -1.0 2.0
   47    50   -56    39   0.28050  1.0 3.0
   47    50    57    58  -0.11600  1.0 1.0
   47    50    57    58  -0.09450 -1.0 2.0
   47    50    57    58   0.21250  1.0 3.0
   47    52    59    60   3.04450 -1.0 2.0
   47    52    59    63   1.49850  1.0 1.0
   47    52    59    63   1.53950 -1.0 2.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   48    47    50    57   0.23400  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    59   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    59  -0.43950  1.0 1.0
   50    47    52    59  -0.08100 -1.0 2.0
   50    47    52    59   0.03350  1.0 3.0
   51    50    56    39   0.37050  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   56    39    41    42   0.23400  1.0 3.0
   56    39   -41    43   0.62750  1.0 1.0
   56    39   -41    43  -0.30950 -1.0 2.0
   56    39   -41    43   0.27300  1.0 3.0
   56    39    41    45   3.69350  1.0 1.0
   56    39    41    45  -1.82950 -1.0 2.0
   56    50    57    58  -0.50000  1.0 1.0
   56    50    57    58  -0.73950 -1.0 2.0
   56    50    57    58   0.17150  1.0 3.0
   57    50    56    39  -0.81800  1.0 1.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   1.12100  1.0 1.0
   52    47    50    56  -0.16500 -1.0 2.0
   52    47    50    57   2.76900  1.0 1.0
   52    47    50    57  -0.24350 -1.0 2.0
   52    47    50    57  -0.78250  1.0 3.0
   52    59    63    64   0.00000  1.0 1.0
   52    59    63    65   0.00000  1.0 1.0
   52    59    63    66   0.00000  1.0 1.0
   53    52    59    60   2.45000 -1.0 2.0
   53    52    59    63   2.45000 -1.0 2.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    66   0.00000  1.0 1.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50   0.62750  1.0 1.0
   49    43    47    50  -0.30950 -1.0 2.0
   49    43    47    50   0.27300  1.0 3.0
   49    43    47    52   1.12100  1.0 1.0
   49    43    47    52  -0.16500 -1.0 2.0
   49    54    61    62   0.23400  1.0 3.0
   49    54    61    67   0.62750  1.0 1.0
   49    54    61    67  -0.30950 -1.0 2.0
   49    54    61    67   0.27300  1.0 3.0
   49    54    61    69   3.69350  1.0 1.0
   49    54    61    69  -1.82950 -1.0 2.0
   49    54    76    75  -0.48150  1.0 1.0
   49    54    76    75   0.09250 -1.0 2.0
   49    54    76    75  -0.12850  1.0 3.0
   54    61    67    68   0.15000  1.0 3.0
   54    61    67    71   0.34400  1.0 1.0
   54    61    67    71   0.09450 -1.0 2.0
   54    61    67    71   0.11100  1.0 3.0
   54    61    67    73   0.86500  1.0 1.0
   54    61    67    73  -0.17500 -1.0 2.0
   54    61    67    73   0.20800  1.0 3.0
   54    61    69    70  -0.11600  1.0 1.0
   54    61    69    70  -0.09450 -1.0 2.0
   54    61    69    70   0.21250  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    67   0.15000  1.0 3.0
   55    54    61    69   0.23400  1.0 3.0
   55    54    76    75   0.08050  1.0 3.0
   61    54    76    75  -0.46850  1.0 1.0
   61    54    76    75   0.09300 -1.0 2.0
   61    54    76    75  -0.12850  1.0 3.0
   61    67    71    72   0.00000  1.0 1.0
   61    67   -71    75   0.09850  1.0 1.0
   61    67   -71    75   0.15250 -1.0 2.0
   61    67   -71    75  -0.50650  1.0 3.0
   61    67    73    74  -0.11600  1.0 1.0
   61    67    73    74  -0.09450 -1.0 2.0
   61    67    73    74   0.21250  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    71   0.15000  1.0 3.0
   62    61    67    73   0.23400  1.0 3.0
   62    61    69    70   0.19450  1.0 3.0
   67    61    69    70  -0.11600  1.0 1.0
   67    61    69    70  -0.09450 -1.0 2.0
   67    61    69    70   0.21250  1.0 3.0
   67    71    75    76   7.00000 -1.0 2.0
   67    71    75    77   7.00000 -1.0 2.0
   68    67    71    72   0.33100  1.0 3.0
   68    67    71    75   0.00000  1.0 1.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74  -0.07800  1.0 1.0
   71    67    73    74  -0.21500 -1.0 2.0
   71    67    73    74  -0.03150  1.0 3.0
   71    75   -76    54  -2.26850  1.0 1.0
   71    75   -76    54   3.39050 -1.0 2.0
   71    75    77    78  -0.04000 -1.0 2.0
   71    75    77    78  -0.29050  1.0 3.0
   71    75    77    79  -0.04000 -1.0 2.0
   71    75    77    79  -0.29050  1.0 3.0
   72    71    75    76   7.00000 -1.0 2.0
   72    71    75    77   7.00000 -1.0 2.0
   76    54    61    62   0.23400  1.0 3.0
   76    54   -61    67   0.62750  1.0 1.0
   76    54   -61    67  -0.30950 -1.0 2.0
   76    54   -61    67   0.27300  1.0 3.0
   76    54    61    69   3.69350  1.0 1.0
   76    54    61    69  -1.82950 -1.0 2.0
   76    75    77    78  -0.11900  1.0 1.0
   76    75    77    78   0.76850 -1.0 2.0
   76    75    77    78   0.14100  1.0 3.0
   76    75    77    79  -0.11900  1.0 1.0
   76    75    77    79   0.76850 -1.0 2.0
   76    75    77    79   0.14100  1.0 3.0
   77    75    76    54   0.15100 -1.0 2.0
   73    67    71    72   0.00000  1.0 1.0
   73    67    71    75   0.67800  1.0 1.0
   73    67    71    75   0.47050 -1.0 2.0
   73    67    71    75  -0.62500  1.0 3.0
   69    61    67    68   0.23400  1.0 3.0
   69    61    67    71   1.05650  1.0 1.0
   69    61    67    71   0.15600 -1.0 2.0
   69    61    67    71   0.53150  1.0 3.0
   69    61    67    73   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.69350  1.0 1.0
   45    41    43    49  -1.82950 -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
   53    59    52    47   1.00000 -1.0 2.0
   52    63    59    60  10.50000 -1.0 2.0
   67    72    71    75   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
