* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    166    252     487
    1     0 S   NP   _N1_     1    28.46080    97.38088   -22.16588
    2     1 S   H    _HN1     2     1.02959    68.73156     7.46508
    3     1 S   H    _H1_     3     1.02840    43.24570   158.24461
    4     1 S   H    _H2_     4     1.02777   101.56781   -97.89032
    5     1 S   CT   _CA1     5     1.50116   143.70874   103.32728
    6     5 S   HC   _HA1     6     1.09576   105.23306    96.04128
    7     5 S   CO3  _C1_     7     1.53787   112.35294   -24.17131
    8     7 S   O2Z  _O11     8     1.26360   114.99743   -44.63357
    9     7 S   O2Z  _O12     9     1.26236   114.91945   134.53441
   10     5 S   CT   _CB1    10     1.53108   107.44552  -146.05155
   11    10 S   HC   HB11    11     1.09826   109.34313   -50.83225
   12    10 S   HC   HB12    12     1.09817   110.42403    65.72032
   13    10 S   CT   _CG1    13     1.53020   112.65993  -171.92003
   14    13 S   HC   HG11    14     1.09594   110.48097   -63.86684
   15    13 S   HC   HG12    15     1.09652   109.94603    55.33950
   16    13 S   C    _CD1    16     1.51804   112.32242   175.70988
   17    16 S   O    _OE1    17     1.22776   123.38163    -0.81325
   18    16 S   N    _N2_    18     1.38624   111.78022   179.23128
   19    18 S   H    _HN2    19     1.01601   119.06712     4.07482
   20    18 S   CT1  _CA2    20     1.45711   122.65281   178.25639
   21    20 S   HC   _HA2    21     1.09669   109.90131    20.37592
   22    20 S   C    _C2_    22     1.52681   105.34201   -96.86944
   23    22 S   O    _O2_    23     1.22933   122.34790   -85.17424
   24    20 S   CT   _CB2    32     1.53161   111.89955   143.38875
   25    24 S   HC   HB21    33     1.09565   111.05035    48.35210
   26    24 S   HC   HB22    34     1.09287   109.17172   167.51855
   27    22 S   N    _N3_    24     1.38524   112.72455    91.33463
   28    27 S   H    _HN3    25     1.01563   119.61549     0.29275
   29    24 S   S    _SG2    35     1.82559   110.70966   -72.44873
   30    27 S   CT   _CA3    26     1.45453   123.22609   177.67451
   31    30 S   HC   HA31    27     1.09500   109.67742    21.03887
   32    30 S   HC   HA32    28     1.09503   107.21646   138.17228
   33    29 S   CT   _C20    36     1.84289   100.09980  -178.50997
   34    33 S   HC   _H8_    37     1.09691   106.58912   -49.90317
   35    30 S   CO3  _C3_    29     1.52837   112.14616  -102.32539
   36    35 S   O2Z  _O31    30     1.26451   115.03208   -59.45424
   37    35 S   O2Z  _O32    31     1.26252   115.34130   120.54872
   38    33 S   CT   _C21    38     1.53109   107.14871  -164.26613
   39    38 S   HC   _H29    39     1.09499   112.35136   -64.00879
   40    38 S   HC   _H30    40     1.09444   111.12483   175.08267
   41    38 S   HC   _H31    41     1.09659   111.06965    56.84520
   42    33 S   CT   _C18    42     1.54561   112.97701    69.11283
   43    42 S   HC   _H7_    43     1.09718   108.86806   -61.64740
   44    42 S   CO4  _C17    44     1.52151   113.22418    58.10727
   45    44 S   O    _O37    45     1.22395   124.66554    78.18902
   46    42 S   CT   _C19    85     1.53153   112.84991  -177.83291
   47    46 S   HC   _H26    86     1.09469   112.26526   -67.72734
   48    46 S   HC   _H27    87     1.09625   110.30178   173.21308
   49    46 S   HC   _H28    88     1.09476   110.88670    53.73429
   50    44 S   OS   _O36    46     1.36668   109.72906  -102.16400
   51    50 S   CT   _C14    47     1.43542   116.59536  -176.16049
   52    51 S   HC   _H6_    48     1.09555   109.77636    38.82166
   53    51 S   CT   _C15    49     1.52416   109.81942   -84.83561
   54    53 S   HC   _H22    50     1.09636   110.40141   165.34444
   55    53 S   HC   _H23    51     1.09368   113.53772    42.98365
   56    53 S   CT   _C16    52     1.51628   102.99479   -77.06549
   57    56 S   HC   _H24    53     1.09410   111.72631    76.48672
   58    56 S   HC   _H25    54     1.09301   113.76716  -157.42134
   59    56 S   NP   _N4_    55     1.50756   103.43339   -39.96079
   60    59 S   H    _H4_    56     1.02948   108.06898   -94.43315
   61    59 S   CT   _C12    57     1.50885   115.68054   143.91449
   62    61 S   HC   _H20    58     1.09493   106.37308   139.60985
   63    61 S   HC   _H21    59     1.09310   109.89008    20.55820
   64    61 S   CT   _C11    60     1.51570   104.29543  -102.35767
   65    64 S   HC   _H18    61     1.09464   110.28962    83.42741
   66    64 S   HC   _H19    62     1.09411   111.77647  -156.67862
   67    64 S   CT   _C10    63     1.52429   103.37659   -35.76787
   68    67 S   HC   _H3_    64     1.10060   107.96506   -72.91384
   69    51 S   CT   _C13    65     1.53555   111.81317   161.21047
   70    69 S   HC   _H5_    66     1.09718   109.64239  -157.79170
   71    67 S   CT   _C9_    67     1.52418   113.29642   168.95837
   72    71 S   HC   _H16    68     1.09705   109.30903    72.00482
   73    71 S   HC   _H17    69     1.09473   111.69778   -47.25858
   74    71 S   OS   _O35    70     1.43396   109.29215  -168.55031
   75    74 S   CO4  _C8_    71     1.35986   115.02315   179.10017
   76    75 S   O    _O34    72     1.22149   126.90298     3.16125
   77    75 S   CM   _C6_    73     1.48249   108.71866  -175.86204
   78    77 S   CM   _C5_    74     1.34476   120.06522  -128.05740
   79    78 S   HC   _H12    75     1.08915   117.88709  -178.30800
   80    77 S   CT   _C7_    80     1.50045   117.02980    53.31740
   81    80 S   HC   _H13    81     1.09488   110.69131   -64.88943
   82    80 S   HC   _H14    82     1.09500   111.83295   174.52332
   83    78 S   CT   _C4_    76     1.49596   128.06374     2.89300
   84    83 S   HC   _H9_    77     1.09414   109.88266  -111.97861
   85    83 S   HC   _H10    78     1.09493   109.39419   129.50094
   86    83 S   HC   _H11    79     1.09251   113.55195     9.82239
   87    80 S   OH   _O33    83     1.42156   109.22174    55.01800
   88    87 S   HO   _H15    84     0.97259   107.34193  -176.22856
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  16   8  11   6   5  11   5   4  12   7  10   6   5  10
   5   4   8   6   5   1   6   3   2   5   9   3  11   9   5   5
   3   2   3   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    69    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    59    67    69    70  
   52    53    54    55    56    57    58    59    60    61    64    67    68    69    70    71  
   53    54    55    56    59    67    69    70  
   54    55    56    57    58    59    60    61    67    69    70  
   55    56    57    58    59    69  
   56    57    58    59    69  
   57    58    59    60    61    62    63    64    67    69    70  
   58    59    60    61    69  
   59    60    61    69  
   60    61    62    63    64    65    66    67    68    69    70    71  
   61    62    63    64    67    69    70  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    67    69  
   64    65    66    67    69  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    71  
   67    68    69    71  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71  
   72    73    74    75    76    77  
   73    74    75  
   74    75  
   75    76    77    78    80  
   76    77    78    79    83    80    81    82    87  
   77    78    80  
   78    79    83    84    85    86    80    81    82    87    88  
   79    83    84    85    86    80    81    82    87  
   83    84    85    86    80  
   81    82    87    88    83  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   73   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   367.000  1.471
   59    60   434.000  1.010
   59    61   367.000  1.471
   59    69   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   268.000  1.529
   69    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.410
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    69    59    80.00000  111.20000
   51    69    67    58.35000  112.70000
   51    69    70    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    80.00000  111.20000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    35.00000  109.50000
   56    59    61    75.00000  113.01200
   56    59    69    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    80.00000  111.20000
   59    69    67    80.00000  111.20000
   59    69    70    35.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    71    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    59    60    35.00000  109.50000
   69    59    61    75.00000  113.01200
   69    67    68    37.50000  110.70000
   71    67    68    37.50000  110.70000
   71    67    69    58.35000  112.70000
   71    74    75    83.00000  116.90000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    83    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    87    90.00000  110.39200
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   83    78    79    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   80    77    78    70.00000  124.00000
   80    87    88    55.00000  108.50000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    69  -0.25900  1.0 1.0
   44    50    51    69  -0.47000 -1.0 2.0
   44    50    51    69   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    56   0.62750  1.0 1.0
   50    51    53    56  -0.30950 -1.0 2.0
   50    51    53    56   0.27300  1.0 3.0
   50    51    69    59   1.69300  1.0 1.0
   50    51    69    59  -0.48450 -1.0 2.0
   50    51    69    67   0.62750  1.0 1.0
   50    51    69    67  -0.30950 -1.0 2.0
   50    51    69    67   0.27300  1.0 3.0
   50    51    69    70   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.36600  1.0 1.0
   51    53   -56    59  -0.11450 -1.0 2.0
   51    53   -56    59   0.24250  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    69    59   0.19200  1.0 3.0
   52    51    69    67   0.15000  1.0 3.0
   52    51    69    70   0.15000  1.0 3.0
   53    51   -69    59   1.36600  1.0 1.0
   53    51   -69    59  -0.11450 -1.0 2.0
   53    51   -69    59   0.24250  1.0 3.0
   53    51    69    67   0.56750  1.0 1.0
   53    51    69    67  -0.07550 -1.0 2.0
   53    51    69    67   0.20000  1.0 3.0
   53    51    69    70   0.15000  1.0 3.0
   53    56    59    60   0.17350  1.0 3.0
   53    56    59    61   0.47100  1.0 1.0
   53    56   -59    69   0.47100  1.0 1.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.19200  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.19200  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.47100  1.0 1.0
   56    59   -69    51   0.47100  1.0 1.0
   56    59    69    67   0.47100  1.0 1.0
   56    59    69    70   0.15000  1.0 3.0
   57    56    59    60   0.13050  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    69   0.15000  1.0 3.0
   58    56    59    60   0.13050  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    69   0.15000  1.0 3.0
   59    61    64    65   0.19200  1.0 3.0
   59    61    64    66   0.19200  1.0 3.0
   59    61   -64    67   1.36600  1.0 1.0
   59    61   -64    67  -0.11450 -1.0 2.0
   59    61   -64    67   0.24250  1.0 3.0
   60    59    61    62   0.13050  1.0 3.0
   60    59    61    63   0.13050  1.0 3.0
   60    59    61    64   0.17350  1.0 3.0
   60    59    69    51   0.17350  1.0 3.0
   60    59    69    67   0.17350  1.0 3.0
   60    59    69    70   0.13050  1.0 3.0
   61    59    69    51   0.47100  1.0 1.0
   61    59   -69    67   0.47100  1.0 1.0
   61    59    69    70   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64   -67    69   0.56750  1.0 1.0
   61    64   -67    69  -0.07550 -1.0 2.0
   61    64   -67    69   0.20000  1.0 3.0
   61    64    67    71   0.56750  1.0 1.0
   61    64    67    71  -0.07550 -1.0 2.0
   61    64    67    71   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    51   0.56750  1.0 1.0
   64    67    69    51  -0.07550 -1.0 2.0
   64    67    69    51   0.20000  1.0 3.0
   64    67   -69    59   1.36600  1.0 1.0
   64    67   -69    59  -0.11450 -1.0 2.0
   64    67   -69    59   0.24250  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    71    72   0.15000  1.0 3.0
   64    67    71    73   0.15000  1.0 3.0
   64    67    71    74   0.62750  1.0 1.0
   64    67    71    74  -0.30950 -1.0 2.0
   64    67    71    74   0.27300  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    71   0.15000  1.0 3.0
   67    71    74    75  -0.25900  1.0 1.0
   67    71    74    75  -0.47000 -1.0 2.0
   67    71    74    75   0.11750  1.0 3.0
   68    67    69    51   0.15000  1.0 3.0
   68    67    69    59   0.19200  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51    53    55   0.15000  1.0 3.0
   69    51   -53    56   0.56750  1.0 1.0
   69    51   -53    56  -0.07550 -1.0 2.0
   69    51   -53    56   0.20000  1.0 3.0
   69    59    61    62   0.15000  1.0 3.0
   69    59    61    63   0.15000  1.0 3.0
   69    59   -61    64   0.47100  1.0 1.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    74   0.62750  1.0 1.0
   69    67    71    74  -0.30950 -1.0 2.0
   69    67    71    74   0.27300  1.0 3.0
   71    67    69    51   0.56750  1.0 1.0
   71    67    69    51  -0.07550 -1.0 2.0
   71    67    69    51   0.20000  1.0 3.0
   71    67    69    59   1.36600  1.0 1.0
   71    67    69    59  -0.11450 -1.0 2.0
   71    67    69    59   0.24250  1.0 3.0
   71    67    69    70   0.15000  1.0 3.0
   71    74    75    76   3.00000 -1.0 2.0
   71    74    75    77   2.00000 -1.0 2.0
   72    71    74    75   0.08050  1.0 3.0
   73    71    74    75   0.08050  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    83   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    87   0.09700  1.0 1.0
   75    77    80    87   0.15600 -1.0 2.0
   75    77    80    87  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    80    87    88  -0.07800  1.0 1.0
   77    80    87    88  -0.21500 -1.0 2.0
   77    80    87    88  -0.03150  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    87   0.67800  1.0 1.0
   78    77    80    87   0.47050 -1.0 2.0
   78    77    80    87  -0.62500  1.0 3.0
   79    78    83    84   0.33100  1.0 3.0
   79    78    83    85   0.33100  1.0 3.0
   79    78    83    86   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    83   7.00000 -1.0 2.0
   81    80    87    88   0.19450  1.0 3.0
   82    80    87    88   0.19450  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   83    79    78    77  15.00000 -1.0 2.0
END
