* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    166    271     501
    1     0 S   NP   _N1_     1    28.91809    95.00618   -24.74129
    2     1 S   H    _HN1     2     1.02949    78.30318    13.49444
    3     1 S   H    _H1_     3     1.02828    29.17914  -176.15575
    4     1 S   H    _H2_     4     1.02787   113.61113   -91.61497
    5     1 S   CT   _CA1     5     1.50109   127.16231   120.34474
    6     5 S   HC   _HA1     6     1.09573   105.19339    87.05094
    7     5 S   CO3  _C1_     7     1.53788   112.47708   -33.18185
    8     7 S   O2Z  _O11     8     1.26371   115.00707   -42.38529
    9     7 S   O2Z  _O12     9     1.26242   114.94693   136.75457
   10     5 S   CT   _CB1    10     1.53079   107.41983  -154.96741
   11    10 S   HC   HB11    11     1.09833   109.36775   -49.73967
   12    10 S   HC   HB12    12     1.09812   110.45031    66.87217
   13    10 S   CT   _CG1    13     1.52986   112.60165  -170.71731
   14    13 S   HC   HG11    14     1.09582   110.62929   -65.74943
   15    13 S   HC   HG12    15     1.09671   109.78211    53.47896
   16    13 S   C    _CD1    16     1.51800   112.23600   173.93247
   17    16 S   O    _OE1    17     1.22729   123.28493     6.89887
   18    16 S   N    _N2_    18     1.38648   111.65199  -173.11342
   19    18 S   H    _HN2    19     1.01570   118.92720     1.83077
   20    18 S   CT1  _CA2    20     1.46237   123.45463   177.66184
   21    20 S   HC   _HA2    21     1.09735   109.36593     4.37032
   22    20 S   C    _C2_    22     1.53581   108.55150  -111.14876
   23    22 S   O    _O2_    23     1.23056   122.32926  -147.20658
   24    20 S   CT   _CB2    32     1.53357   111.52170   126.39617
   25    24 S   HC   HB21    33     1.09582   109.96274    56.34548
   26    24 S   HC   HB22    34     1.09451   110.03471   175.44130
   27    22 S   N    _N3_    24     1.38345   113.71665    40.18627
   28    27 S   H    _HN3    25     1.01572   119.59997    -3.12167
   29    24 S   S    _SG2    35     1.82840   111.37772   -64.56971
   30    27 S   CT   _CA3    26     1.45290   123.23277   177.21857
   31    30 S   HC   HA31    27     1.09548   107.49348   -65.07482
   32    30 S   HC   HA32    28     1.09556   108.00910    51.37454
   33    29 S   CT   _C20    36     1.84591   100.05978   171.10216
   34    33 S   HC   _H7_    37     1.09841   106.11094   -40.93863
   35    30 S   CO3  _C3_    29     1.52967   114.06551   173.38135
   36    35 S   O2Z  _O31    30     1.26378   116.06493    -0.78059
   37    35 S   O2Z  _O32    31     1.26427   114.41560   179.28454
   38    33 S   CA   _C19    38     1.52590   109.77955  -154.94889
   39    33 S   CM   _C21    64     1.50995   110.09560    71.91124
   40    39 S   HC   _H27    65     1.09319   112.53328   -74.81039
   41    38 S   CA   _C18    39     1.41135   117.37700    93.66201
   42    41 S   HA   _H26    40     1.08813   120.28755     2.39735
   43    41 S   CA   _C17    41     1.39252   121.35361  -176.96836
   44    43 S   HA   _H25    42     1.08586   120.11631   179.97202
   45    43 S   CA   _C16    43     1.38725   119.66049     0.51889
   46    45 S   HA   _H24    44     1.08622   120.04906   179.64173
   47    45 S   CA   _C15    45     1.39540   120.01583    -0.25793
   48    47 S   HA   _H23    46     1.08496   117.32665   179.82086
   49    38 S   CA   _C14    47     1.41642   123.65074   -82.80276
   50    49 S   CT   _C13    48     1.51833   119.06660    -4.85446
   51    50 S   HC   _H6_    49     1.09836   106.09850    53.57734
   52    50 S   CT   _C12    50     1.54740   118.84496   168.39328
   53    52 S   HC   _H21    51     1.09643   110.95140   -40.18788
   54    52 S   HC   _H22    52     1.09845   107.73434  -154.71362
   55    52 S   CT   _C11    53     1.53062   115.13308    85.60754
   56    55 S   HC   _H19    54     1.09428   109.71617   172.55423
   57    55 S   HC   _H20    55     1.09631   109.56399   -72.34729
   58    55 S   CT   _C10    56     1.54042   112.09374    48.21409
   59    58 S   HC   _H5_    57     1.09755   106.84244  -172.12972
   60    58 S   CT   _C23    58     1.53647   106.33473   -56.76815
   61    60 S   HC   _H28    59     1.09468   111.10446  -171.72994
   62    60 S   HC   _H29    60     1.09831   109.71693   -57.02498
   63    58 S   CT   _C9_    66     1.55727   113.02565    68.73884
   64    63 S   HC   _H4_    67     1.09668   109.05728   -58.51339
   65    50 S   NE   _N5_    61     1.47987   108.76562   -63.44156
   66    63 S   CT   _C8_    68     1.53734   113.97410    62.39885
   67    66 S   HC   _H17    69     1.09618   110.54341    58.48863
   68    66 S   HC   _H18    70     1.09479   110.41960   -59.05481
   69    65 S   CMA  _C22    62     1.40933   120.97967    82.93512
   70    69 S   OM   _O33    63     1.26372   111.40258   146.21267
   71    66 S   CT   _C7_    71     1.52837   111.96720  -178.79699
   72    71 S   HC   _H15    72     1.09590   109.70681  -175.15960
   73    71 S   HC   _H16    73     1.09735   109.02604    68.31159
   74    71 S   CT   _C6_    74     1.52318   112.36953   -52.77338
   75    74 S   HC   _H13    75     1.09606   109.38798   173.14840
   76    74 S   HC   _H14    76     1.09610   109.57909   -70.59012
   77    74 S   CT   _C5_    77     1.52084   111.69988    51.93212
   78    77 S   HC   _H11    78     1.09593   111.28408    63.65711
   79    77 S   HC   _H12    79     1.09495   111.89710  -175.08295
   80    63 S   NP   _N4_    80     1.53075   112.09905  -173.46769
   81    80 S   H    _H3_    81     1.03375   105.13519    61.79724
   82    80 S   CT   _C4_    82     1.50702   116.57828   -55.21771
   83    82 S   HC   _H8_    83     1.09131   109.60227   -60.12247
   84    82 S   HC   _H9_    84     1.09091   109.02561    61.12982
   85    82 S   HC   _H10    85     1.09349   107.96035   179.32769
  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   8   5   4   3
  13   6   2   1   1  15   8   3   8   4   6   3   5   3   6   2
   9  14   7  11   6   5  12   5   4  16   8   9   4   3  18   8
   2  12   6   5   1   1   9   5   4   8   5   4   8   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    49    69    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    43    47    49    50    65    69    70    39    40  
   38    41    49    69    39    40  
   36    37  
   37  
    0  
   41    42    43    44    45    47    48    49    50    51    52    65    69    39    40  
   40    41    49    50    60    65    69    70  
   65    69    70  
   42    43    44    45    46    47    49    50  
   43    44    45    49  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50  
   47    48    49  
   48    49    50    51    52    65  
   49    50  
   50    51    52    53    54    55    60    65    69  
   51    52    53    54    55    56    57    58    60    61    62    65    69    70  
   52    53    54    55    60    65    69  
   53    54    55    56    57    58    59    60    65    69    63  
   54    55    56    57    58    65  
   55    56    57    58    65  
   56    57    58    59    60    61    62    65    63    64    66    80  
   57    58    59    60    63  
   58    59    60    63  
   59    60    61    62    65    69    63    64    66    67    68    71    77    80    81    82  
   60    61    62    65    63    64    66    80  
   61    62    65    69    70    63    64    66    80  
   62    65    69    63  
   65    69    63  
   64    66    67    68    71    72    73    74    77    78    79    80    81    82    83    84    85    65  
   66    67    68    71    77    80    81    82  
   69    70  
   67    68    71    72    73    74    75    76    77    80    81    82  
   68    71    72    73    74    80  
   71    72    73    74    80  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85  
   82    83    84    85  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.290300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   81   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    49   469.000  1.400
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   317.000  1.510
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    65   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   382.000  1.448
   65    69   415.000  1.382
   69    70   745.000  1.250
   69    39   465.000  1.376
   39    40   340.000  1.080
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    80   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   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    80   367.000  1.471
   80    81   434.000  1.010
   80    82   367.000  1.471
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    49    70.00000  120.00000
   33    39    69    70.00000  124.00000
   33    39    40    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    43    63.00000  120.00000
   38    49    47    63.00000  120.00000
   38    49    50    70.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    45    63.00000  120.00000
   43    41    42    35.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    47    63.00000  120.00000
   45    43    44    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  120.00000
   49    38    41    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    70.00000  112.17500
   49    50    65    75.00000  113.31400
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    65    60    50.00000  115.00000
   50    65    69    50.00000  121.00000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    63    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    65    80.00000  111.61500
   58    63    64    37.50000  110.70000
   58    63    66    58.35000  112.70000
   58    63    80    80.00000  111.20000
   60    58    59    37.50000  110.70000
   60    65    69    50.00000  121.00000
   62    60    61    33.00000  107.80000
   65    50    51    35.00000  109.50000
   65    50    52    80.00000  111.61500
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    69    70   105.00000  113.92000
   65    69    39    75.00000  114.40000
   69    39    40    40.00000  120.50800
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    69    70    65.00000  137.10300
   63    58    59    37.50000  110.70000
   63    58    60    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    71    58.35000  112.70000
   63    80    77    75.00000  113.01200
   63    80    81    35.00000  109.50000
   63    80    82    75.00000  113.01200
   66    63    64    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  109.50000
   77    80    82    75.00000  113.01200
   79    77    78    33.00000  107.80000
   80    63    64    35.00000  109.50000
   80    63    66    80.00000  111.20000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    35.00000  109.50000
   82    80    81    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    49  -0.16000  1.0 1.0
   29    33    38    49  -0.03200 -1.0 2.0
   29    33    38    49   0.04500  1.0 3.0
   29    33    39    69   0.42700  1.0 1.0
   29    33    39    69  -0.70350 -1.0 2.0
   29    33    39    69  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    43   3.62500 -1.0 2.0
   33    38    49    47   3.62500 -1.0 2.0
   33    38    49    50   3.62500 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    49   0.00000  1.0 1.0
   34    33    39    69   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   38    33    39    69   1.44450  1.0 1.0
   38    33    39    69   0.06600 -1.0 2.0
   38    33    39    69   0.29250  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    41    43    44   3.62500 -1.0 2.0
   38    41    43    45   3.62500 -1.0 2.0
   38    49    50    51   0.00000  1.0 1.0
   38    49    50    52   0.04150 -1.0 2.0
   38    49    50    65  -0.06000  1.0 1.0
   38    49    50    65   0.30500 -1.0 2.0
   38    49    50    65   0.09200  1.0 3.0
   41    38    49    47   3.62500 -1.0 2.0
   41    38    49    50   3.62500 -1.0 2.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43   -45    47   3.62500 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    47    48   3.62500 -1.0 2.0
   43    45    47    49   3.62500 -1.0 2.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    47   3.62500 -1.0 2.0
   45    47   -49    38   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   0.00000  1.0 1.0
   47    49    50    52   0.04150 -1.0 2.0
   47    49    50    65  -0.06000  1.0 1.0
   47    49    50    65   0.30500 -1.0 2.0
   47    49    50    65   0.09200  1.0 3.0
   48    47    49    38   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   49    38    41    42   3.62500 -1.0 2.0
   49    38   -41    43   3.62500 -1.0 2.0
   49    50    52    53   0.43200  1.0 3.0
   49    50    52    54   0.43200  1.0 3.0
   49    50    52    55  -0.03700  1.0 1.0
   49    50    52    55   0.37200 -1.0 2.0
   49    50    52    55  -0.47300  1.0 3.0
   49    50    65    60   0.00000  1.0 1.0
   49    50    65    69  -0.12500  1.0 1.0
   49    50    65    69  -0.12500 -1.0 2.0
   49    50    65    69   0.25000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52    55    58   0.56750  1.0 1.0
   50    52    55    58  -0.07550 -1.0 2.0
   50    52    55    58   0.20000  1.0 3.0
   50    65    69    70   1.00000 -1.0 2.0
   50    65    69    39  -0.54700  1.0 1.0
   50    65    69    39   1.23000 -1.0 2.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    65    60   0.00000  1.0 1.0
   51    50    65    69   0.00000  1.0 1.0
   52    50    65    60   0.00000  1.0 1.0
   52    50    65    69   0.25450  1.0 1.0
   52    50    65    69  -0.61700 -1.0 2.0
   52    50    65    69  -0.23550  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55   -58    60   0.56750  1.0 1.0
   52    55   -58    60  -0.07550 -1.0 2.0
   52    55   -58    60   0.20000  1.0 3.0
   52    55    58    63   0.56750  1.0 1.0
   52    55    58    63  -0.07550 -1.0 2.0
   52    55    58    63   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    65   1.26750  1.0 1.0
   55    58    60    65  -0.00950 -1.0 2.0
   55    58    60    65   0.30600  1.0 3.0
   55    58    63    64   0.15000  1.0 3.0
   55    58    63    66   0.56750  1.0 1.0
   55    58    63    66  -0.07550 -1.0 2.0
   55    58    63    66   0.20000  1.0 3.0
   55    58    63    80   1.36600  1.0 1.0
   55    58    63    80  -0.11450 -1.0 2.0
   55    58    63    80   0.24250  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    63   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    63   0.15000  1.0 3.0
   58    60   -65    50   0.00000  1.0 1.0
   58    60    65    69   0.25450  1.0 1.0
   58    60    65    69  -0.61700 -1.0 2.0
   58    60    65    69  -0.23550  1.0 3.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    71   0.56750  1.0 1.0
   58    63    66    71  -0.07550 -1.0 2.0
   58    63    66    71   0.20000  1.0 3.0
   58    63    80    77   0.47100  1.0 1.0
   58    63    80    81   0.17350  1.0 3.0
   58    63    80    82   0.47100  1.0 1.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    65   0.22950  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    63    80   0.19200  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    66   0.56750  1.0 1.0
   60    58    63    66  -0.07550 -1.0 2.0
   60    58    63    66   0.20000  1.0 3.0
   60    58    63    80   1.36600  1.0 1.0
   60    58    63    80  -0.11450 -1.0 2.0
   60    58    63    80   0.24250  1.0 3.0
   60    65    69    70   1.00000 -1.0 2.0
   60    65    69    39  -0.54700  1.0 1.0
   60    65    69    39   1.23000 -1.0 2.0
   61    60    65    50   0.00000  1.0 1.0
   61    60    65    69   0.00000  1.0 1.0
   62    60    65    50   0.00000  1.0 1.0
   62    60    65    69   0.00000  1.0 1.0
   65    50    52    53   0.22950  1.0 3.0
   65    50    52    54   0.22950  1.0 3.0
   65    50   -52    55   1.26750  1.0 1.0
   65    50   -52    55  -0.00950 -1.0 2.0
   65    50   -52    55   0.30600  1.0 3.0
   65    69    39    33   7.00000 -1.0 2.0
   65    69    39    40   7.00000 -1.0 2.0
   70    69    39    33   7.00000 -1.0 2.0
   70    69    39    40   7.00000 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    49   0.18050 -1.0 2.0
   63    58    60    61   0.15000  1.0 3.0
   63    58    60    62   0.15000  1.0 3.0
   63    58    60    65   1.26750  1.0 1.0
   63    58    60    65  -0.00950 -1.0 2.0
   63    58    60    65   0.30600  1.0 3.0
   63    66    71    72   0.15000  1.0 3.0
   63    66    71    73   0.15000  1.0 3.0
   63    66    71    74   0.56750  1.0 1.0
   63    66    71    74  -0.07550 -1.0 2.0
   63    66    71    74   0.20000  1.0 3.0
   63    80    82    83   0.15000  1.0 3.0
   63    80    82    84   0.15000  1.0 3.0
   63    80    82    85   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    71   0.15000  1.0 3.0
   64    63    80    77   0.15000  1.0 3.0
   64    63    80    81   0.13050  1.0 3.0
   64    63    80    82   0.15000  1.0 3.0
   66    63    80    77   0.47100  1.0 1.0
   66    63    80    81   0.17350  1.0 3.0
   66    63    80    82   0.47100  1.0 1.0
   66    71    74    75   0.15000  1.0 3.0
   66    71    74    76   0.15000  1.0 3.0
   66    71   -74    77   0.56750  1.0 1.0
   66    71   -74    77  -0.07550 -1.0 2.0
   66    71   -74    77   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   1.36600  1.0 1.0
   71    74    77    80  -0.11450 -1.0 2.0
   71    74    77    80   0.24250  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77   -80    63   0.47100  1.0 1.0
   74    77    80    81   0.17350  1.0 3.0
   74    77    80    82   0.47100  1.0 1.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.19200  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    80   0.19200  1.0 3.0
   77    80    82    83   0.15000  1.0 3.0
   77    80    82    84   0.15000  1.0 3.0
   77    80    82    85   0.15000  1.0 3.0
   78    77    80    63   0.15000  1.0 3.0
   78    77    80    81   0.13050  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   79    77    80    63   0.15000  1.0 3.0
   79    77    80    81   0.13050  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   80    63    66    67   0.19200  1.0 3.0
   80    63    66    68   0.19200  1.0 3.0
   80    63   -66    71   1.36600  1.0 1.0
   80    63   -66    71  -0.11450 -1.0 2.0
   80    63   -66    71   0.24250  1.0 3.0
   81    80    82    83   0.13050  1.0 3.0
   81    80    82    84   0.13050  1.0 3.0
   81    80    82    85   0.13050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    49    38    33   4.00000 -1.0 2.0
   43    42    41    38   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   47    50    49    38   4.00000 -1.0 2.0
   60    69    65    50   1.00000 -1.0 2.0
   65    70    69    39   1.10000 -1.0 2.0
   33    40    39    69   1.10000 -1.0 2.0
END
