* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    237     461
    1     0 S   NP   _N1_     1    30.88562    96.22617   -14.74376
    2     1 S   H    _HN1     2     1.02946    69.18097   130.50008
    3     1 S   H    _H1_     3     1.02774    47.54593   -11.63853
    4     1 S   H    _H2_     4     1.03012   146.13868    41.01407
    5     1 S   CT   _CA1     5     1.50490   100.89460  -121.85632
    6     5 S   HC   _HA1     6     1.09686   104.90165   -10.12992
    7     5 S   CO3  _C1_     7     1.54527   110.68580  -126.45415
    8     7 S   O2Z  _O11     8     1.26168   116.62966  -110.27859
    9     7 S   O2Z  _O12     9     1.26515   113.84277    68.19380
   10     5 S   CT   _CB1    10     1.53095   107.10510   105.75322
   11    10 S   HC   HB11    11     1.09846   109.91069   -49.18307
   12    10 S   HC   HB12    12     1.09443   109.79908    66.19295
   13    10 S   CT   _CG1    13     1.53167   112.79763  -169.48786
   14    13 S   HC   HG11    14     1.09553   112.15531   -33.63519
   15    13 S   HC   HG12    15     1.09609   110.10730    84.77617
   16    13 S   C    _CD1    16     1.51573   111.19528  -154.56803
   17    16 S   O    _OE1    17     1.22788   121.94922  -104.22391
   18    16 S   N    _N2_    18     1.38404   112.53655    75.46574
   19    18 S   H    _HN2    19     1.01721   118.61518     3.63227
   20    18 S   CT1  _CA2    20     1.45888   123.51833   177.46024
   21    20 S   HC   _HA2    21     1.09711   109.12179    19.26243
   22    20 S   C    _C2_    22     1.52880   107.00607   -97.84620
   23    22 S   O    _O2_    23     1.22944   122.96398   -26.91046
   24    20 S   CT   _CB2    32     1.53381   111.87712   142.77216
   25    24 S   HC   HB21    33     1.09339   109.58005    51.97926
   26    24 S   HC   HB22    34     1.09515   110.65085   170.23086
   27    22 S   N    _N3_    24     1.38642   112.36024   156.18430
   28    27 S   H    _HN3    25     1.01494   119.71642     0.54608
   29    24 S   S    _SG2    35     1.82887   110.68435   -70.84022
   30    27 S   CT   _CA3    26     1.45435   122.73795   174.72589
   31    30 S   HC   HA31    27     1.09544   108.84487    32.31347
   32    30 S   HC   HA32    28     1.09476   107.17806   149.45801
   33    29 S   CT   _C19    36     1.88823   102.13317   147.13283
   34    30 S   CO3  _C3_    29     1.53102   113.78046   -90.52569
   35    34 S   O2Z  _O31    30     1.26365   115.96767   -27.12881
   36    34 S   O2Z  _O32    31     1.26434   114.58721   153.71690
   37    33 S   CT   _C14    37     1.55976   105.98085    62.28935
   38    37 S   HC   _H34    38     1.09961   110.00787    51.01588
   39    37 S   HC   _H35    39     1.09750   111.00290   -65.27500
   40    33 S   CT   _C18    58     1.57834   110.76046   -60.93345
   41    40 S   HC   _H39    59     1.09592   106.78389    87.07685
   42    33 S   CT   _C23    83     1.54029   103.20567   178.18620
   43    42 S   HC   _H49    84     1.09635   111.64763    64.84908
   44    42 S   HC   _H50    85     1.09731   111.76576   -56.03853
   45    42 S   HC   _H51    86     1.09443   112.01754  -174.69234
   46    37 S   CO4  _C7_    40     1.52496   117.24345   171.84972
   47    46 S   O    _O21    41     1.22671   121.54107  -105.61882
   48    40 S   OH   _O25    60     1.42847   110.65672   -28.37696
   49    48 S   HO   _H52    61     0.97532   108.53772   158.98119
   50    46 S   CM   _C4_    42     1.49037   115.86215    74.70532
   51    50 S   HC   _H28    43     1.08718   114.52920    28.49224
   52    50 S   CM   _C5_    44     1.34656   123.77886  -135.20413
   53    52 S   CT   _C13    45     1.51313   118.07967   157.51190
   54    53 S   HC   _H32    46     1.09908   110.85147    25.17050
   55    53 S   HC   _H33    47     1.09793   108.91268   138.99286
   56    52 S   CT   _C20    79     1.50496   126.88365   -15.40324
   57    56 S   HC   _H40    80     1.09423   110.76164   108.69842
   58    56 S   HC   _H41    81     1.09043   113.80001   -12.89143
   59    56 S   HC   _H42    82     1.09557   109.74848  -131.98977
   60    53 S   CT   _C17    48     1.55692   114.26803   -97.81275
   61    60 S   HC   _H38    49     1.09775   110.75706   -57.86016
   62    60 S   CT   _C15    50     1.56112   114.09341    65.70285
   63    62 S   HC   _H36    51     1.09715   108.06356    50.55520
   64    60 S   OS   _O26    65     1.45308   105.64335  -176.33788
   65    62 S   CM   _C6_    52     1.49568   113.51548   172.32202
   66    64 S   CO4  _C12    66     1.36034   117.59003    88.31879
   67    66 S   O    _O23    67     1.22228   126.05839    -0.10468
   68    65 S   CO4  _C8_    53     1.47257   110.33811   105.90249
   69    68 S   O    _O22    54     1.21789   127.18738  -175.07029
   70    65 S   CM   _C9_    62     1.33627   128.31304   -78.54497
   71    70 S   HC   _H29    63     1.08463   120.89997     1.65954
   72    70 S   HC   _H30    64     1.08514   121.93148  -177.46372
   73    66 S   CM   _C11    68     1.49357   109.30986   179.77619
   74    68 S   OS   _O24    55     1.35897   107.10669     5.72512
   75    73 S   CM   _C10    69     1.34607   115.95233  -158.63002
   76    75 S   HC   _H31    70     1.08936   119.35180     0.49811
   77    73 S   CT   _C22    75     1.49959   118.18759    23.06872
   78    77 S   HC   _H46    76     1.09445   110.43026   -77.05032
   79    77 S   HC   _H47    77     1.09573   110.54748    43.03124
   80    77 S   HC   _H48    78     1.09284   112.89097   161.85334
   81    62 S   CT   _C16    56     1.54178   113.70285   -73.99566
   82    81 S   HC   _H37    57     1.08328   110.81367    11.18655
   83    75 S   CT   _C21    71     1.49566   127.21240   179.24749
   84    83 S   HC   _H43    72     1.09493   109.41906  -128.25241
   85    83 S   HC   _H44    73     1.09422   109.83898   113.26054
   86    83 S   HC   _H45    74     1.09188   113.63467    -8.42278
  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  13   5   4   3
  18   2   1   1  15   6   5  16   7   6   2   1   1   6   3   5
   1  10   3  11  14   6   5   4   2   1   1  13   6  12   7   7
   8   9   3   7   3   4   1   1  10   2   9   5   4   2   1   1
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    81    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    62    74    81    82    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    81    40    41    48    42    43    44    45  
   39    46    47    50    40    42  
   46    47    50    40    42  
   41    48    49    42    43    44    45    46    60    62    63    65    68    74    81    82  
   48    49    42    62    74    81    82  
   43    44    45    46    48    81  
   44    45  
   45  
    0  
   47    50    51    52    53    56  
   50    51    52  
   49    62    74    81    82  
   81  
   51    52    53    54    55    60    56    57    58    59  
   52    53    56  
   53    54    55    60    61    62    64    56    57    58    59  
   54    55    60    61    62    63    65    81    64    66    56    57    58    59  
   55    60    61    62    64    56  
   60    61    62    64    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    68    74    81    82    70    64    66    67    73  
   62    63    65    81    64    66  
   63    65    68    69    74    81    82    70    71    72    64    66  
   65    68    74    81    82    70    64  
   66    67    73    75    77    65    81  
   68    69    74    81    82    70    71    72  
   67    73    75    76    83    77    78    79    80  
   73    75    77  
   69    74    81    82    70    71    72  
   74    81    70  
   71    72    74    81  
   72  
    0  
   75    76    83    84    85    86    77    78    79    80  
   81    82  
   76    83    84    85    86    77    78    79    80  
   83    84    85    86    77  
   78    79    80    83  
   79    80  
   80  
    0  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   317.000  1.522
   46    47   570.000  1.229
   46    50   320.000  1.462
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   317.000  1.510
   62    81   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    81   320.000  1.410
   81    82   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    73   320.000  1.462
   73    75   549.000  1.340
   73    77   317.000  1.510
   75    76   340.000  1.080
   75    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    80.00000  120.40000
   37    46    50    65.00000  118.62400
   39    37    38    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    39    35.00000  109.50000
   46    50    51    40.00000  117.72500
   46    50    52    65.00000  118.96000
   50    46    47    80.00000  123.72100
   50    52    53    70.00000  124.00000
   50    52    56    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.02700
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    58.35000  112.70000
   53    60    64    50.00000  109.50000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    62    81    58.35000  112.70000
   60    64    66    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    68    65.00000  116.34900
   62    65    70    70.00000  124.00000
   62    81    74    50.00000  109.50000
   62    81    82    37.50000  110.70000
   62    81    40    58.35000  112.70000
   65    62    63    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    74    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   68    74    81    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    81    82    35.00000  109.50000
   74    81    40    50.00000  109.50000
   81    62    63    37.50000  110.70000
   81    62    65    70.00000  112.02700
   81    40    41    37.50000  110.70000
   81    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    73    90.00000  111.29400
   66    73    75    65.00000  118.96000
   66    73    77    65.00000  116.34900
   73    66    67    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    83    70.00000  124.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   75    83    84    35.00000  109.50000
   75    83    85    35.00000  109.50000
   75    83    86    35.00000  109.50000
   83    75    76    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
   77    73    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    50   0.65300  1.0 1.0
   33    37    46    50  -0.03850 -1.0 2.0
   33    37    46    50   0.33900  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.04550  1.0 1.0
   37    46    50    51   0.83000 -1.0 2.0
   37    46    50    51  -0.04000  1.0 3.0
   37    46    50    52  -0.33500  1.0 1.0
   37    46    50    52   1.06600 -1.0 2.0
   37    46    50    52  -0.14000  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    50   0.00000  1.0 1.0
   39    37    46    47   0.00000  1.0 1.0
   39    37    46    50   0.00000  1.0 1.0
   46    50    52    53   7.00000 -1.0 2.0
   46    50    52    56   7.00000 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   1.00000 -1.0 2.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    60   0.09850  1.0 1.0
   50    52    53    60   0.15250 -1.0 2.0
   50    52    53    60  -0.50650  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    58   0.00000  1.0 1.0
   50    52    56    59   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.34400  1.0 1.0
   52    53    60    62   0.09450 -1.0 2.0
   52    53    60    62   0.11100  1.0 3.0
   52    53    60    64   0.61850  1.0 1.0
   52    53    60    64  -0.22750 -1.0 2.0
   52    53    60    64   0.15300  1.0 3.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    62    63   0.15000  1.0 3.0
   53    60    62    65   0.34400  1.0 1.0
   53    60    62    65   0.09450 -1.0 2.0
   53    60    62    65   0.11100  1.0 3.0
   53    60    62    81   0.56750  1.0 1.0
   53    60    62    81  -0.07550 -1.0 2.0
   53    60    62    81   0.20000  1.0 3.0
   53    60    64    66  -0.25900  1.0 1.0
   53    60    64    66  -0.47000 -1.0 2.0
   53    60    64    66   0.11750  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    64   0.23400  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    64   0.23400  1.0 3.0
   60    62    65    68   0.09700  1.0 1.0
   60    62    65    68   0.15600 -1.0 2.0
   60    62    65    68  -0.50800  1.0 3.0
   60    62    65    70   0.09850  1.0 1.0
   60    62    65    70   0.15250 -1.0 2.0
   60    62    65    70  -0.50650  1.0 3.0
   60    62    81    74   0.62750  1.0 1.0
   60    62    81    74  -0.30950 -1.0 2.0
   60    62    81    74   0.27300  1.0 3.0
   60    62    81    82   0.15000  1.0 3.0
   60    62    81    40   0.56750  1.0 1.0
   60    62    81    40  -0.07550 -1.0 2.0
   60    62    81    40   0.20000  1.0 3.0
   60    64    66    67   3.00000 -1.0 2.0
   60    64    66    73   2.00000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    81   0.15000  1.0 3.0
   61    60    64    66   0.08050  1.0 3.0
   62    60    64    66  -0.25900  1.0 1.0
   62    60    64    66  -0.47000 -1.0 2.0
   62    60    64    66   0.11750  1.0 3.0
   62    65    68    69  -0.64400  1.0 1.0
   62    65    68    69   0.26850 -1.0 2.0
   62    65   -68    74  -0.15000  1.0 1.0
   62    65   -68    74   0.89550 -1.0 2.0
   62    65   -68    74  -0.06900  1.0 3.0
   62    65    70    71   7.00000 -1.0 2.0
   62    65    70    72   7.00000 -1.0 2.0
   62    81    40    33   0.56750  1.0 1.0
   62    81    40    33  -0.07550 -1.0 2.0
   62    81    40    33   0.20000  1.0 3.0
   62    81    40    41   0.15000  1.0 3.0
   62    81    40    48   0.86500  1.0 1.0
   62    81    40    48  -0.17500 -1.0 2.0
   62    81    40    48   0.20800  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.00000  1.0 1.0
   63    62    81    74   0.23400  1.0 3.0
   63    62    81    82   0.15000  1.0 3.0
   63    62    81    40   0.15000  1.0 3.0
   65    62   -81    74   0.61850  1.0 1.0
   65    62   -81    74  -0.22750 -1.0 2.0
   65    62   -81    74   0.15300  1.0 3.0
   65    62    81    82   0.15000  1.0 3.0
   65    62    81    40   0.34400  1.0 1.0
   65    62    81    40   0.09450 -1.0 2.0
   65    62    81    40   0.11100  1.0 3.0
   65    68   -74    81   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   68    74   -81    62  -0.25900  1.0 1.0
   68    74   -81    62  -0.47000 -1.0 2.0
   68    74   -81    62   0.11750  1.0 3.0
   68    74    81    82   0.08050  1.0 3.0
   68    74    81    40  -0.25900  1.0 1.0
   68    74    81    40  -0.47000 -1.0 2.0
   68    74    81    40   0.11750  1.0 3.0
   69    68    74    81   3.00000 -1.0 2.0
   74    81    40    33   0.62750  1.0 1.0
   74    81    40    33  -0.30950 -1.0 2.0
   74    81    40    33   0.27300  1.0 3.0
   74    81    40    41   0.23400  1.0 3.0
   74    81    40    48   3.69350  1.0 1.0
   74    81    40    48  -1.82950 -1.0 2.0
   81    62   -65    68   0.09700  1.0 1.0
   81    62   -65    68   0.15600 -1.0 2.0
   81    62   -65    68  -0.50800  1.0 3.0
   81    62    65    70   0.09850  1.0 1.0
   81    62    65    70   0.15250 -1.0 2.0
   81    62    65    70  -0.50650  1.0 3.0
   81    40    48    49  -0.11600  1.0 1.0
   81    40    48    49  -0.09450 -1.0 2.0
   81    40    48    49   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46  -0.95700  1.0 1.0
   40    33    37    46  -0.18200 -1.0 2.0
   40    33    37    46   0.29450  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    74  -0.56150  1.0 1.0
   70    65    68    74   2.19150 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.61850  1.0 1.0
   64    60    62    65  -0.22750 -1.0 2.0
   64    60    62    65   0.15300  1.0 3.0
   64    60    62    81   0.62750  1.0 1.0
   64    60    62    81  -0.30950 -1.0 2.0
   64    60    62    81   0.27300  1.0 3.0
   64    66    73    75  -0.56150  1.0 1.0
   64    66    73    75   2.19150 -1.0 2.0
   64    66    73    77  -0.15000  1.0 1.0
   64    66    73    77   0.89550 -1.0 2.0
   64    66    73    77  -0.06900  1.0 3.0
   66    73    75    76   7.00000 -1.0 2.0
   66    73    75    83   7.00000 -1.0 2.0
   66    73    77    78   0.15000  1.0 3.0
   66    73    77    79   0.15000  1.0 3.0
   66    73    77    80   0.15000  1.0 3.0
   67    66    73    75   1.00000 -1.0 2.0
   67    66    73    77  -0.64400  1.0 1.0
   67    66    73    77   0.26850 -1.0 2.0
   73    75    83    84   0.00000  1.0 1.0
   73    75    83    85   0.00000  1.0 1.0
   73    75    83    86   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    79   0.00000  1.0 1.0
   75    73    77    80   0.00000  1.0 1.0
   76    75    83    84   0.33100  1.0 3.0
   76    75    83    85   0.33100  1.0 3.0
   76    75    83    86   0.33100  1.0 3.0
   77    73    75    76   7.00000 -1.0 2.0
   77    73    75    83   7.00000 -1.0 2.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.46850  1.0 1.0
   56    52    53    60   0.08550 -1.0 2.0
   56    52    53    60   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46  -0.95700  1.0 1.0
   42    33    37    46  -0.18200 -1.0 2.0
   42    33    37    46   0.29450  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    50    46    47  10.50000 -1.0 2.0
   46    51    50    52   1.10000 -1.0 2.0
   53    56    52    50   1.10000 -1.0 2.0
   62    68    65    70   1.10000 -1.0 2.0
   65    74    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   64    73    66    67  10.50000 -1.0 2.0
   66    77    73    75  15.00000 -1.0 2.0
   83    76    75    73  15.00000 -1.0 2.0
END
