* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    163    266     480
    1     0 S   NP   _N1_     1    28.79693    95.32201   -20.05485
    2     1 S   H    _HN1     2     1.02976    90.22337    47.00833
    3     1 S   H    _H1_     3     1.02810    36.33950   166.32701
    4     1 S   H    _H2_     4     1.02758    83.85215   -61.45274
    5     1 S   CT   _CA1     5     1.50192   146.76643   176.47391
    6     5 S   HC   _HA1     6     1.09593   105.12951    52.64105
    7     5 S   CO3  _C1_     7     1.53781   112.37183   -67.04711
    8     7 S   O2Z  _O11     8     1.26333   114.98511   -41.21490
    9     7 S   O2Z  _O12     9     1.26256   114.88918   137.40027
   10     5 S   CT   _CB1    10     1.53026   107.21873   170.12876
   11    10 S   HC   HB11    11     1.09825   108.98448   -53.38100
   12    10 S   HC   HB12    12     1.09706   110.49459    62.89060
   13    10 S   CT   _CG1    13     1.52871   112.90707  -174.64401
   14    13 S   HC   HG11    14     1.09567   110.33848   -67.13499
   15    13 S   HC   HG12    15     1.09666   110.01136    51.98214
   16    13 S   C    _CD1    16     1.51850   112.40872   172.05853
   17    16 S   O    _OE1    17     1.22723   123.38518    -4.02419
   18    16 S   N    _N2_    18     1.38531   111.49117   176.94892
   19    18 S   H    _HN2    19     1.01596   118.77199    -0.53302
   20    18 S   CT1  _CA2    20     1.46204   123.71497   178.74352
   21    20 S   HC   _HA2    21     1.09734   109.37670   -15.94612
   22    20 S   C    _C2_    22     1.53419   107.92277  -131.32589
   23    22 S   O    _O2_    23     1.23017   122.56442  -146.71588
   24    20 S   CT   _CB2    32     1.53293   111.25221   106.62898
   25    24 S   HC   HB21    33     1.09095   109.09395    50.87141
   26    24 S   HC   HB22    34     1.09488   110.77782   169.17151
   27    22 S   N    _N3_    24     1.38439   113.32212    40.94473
   28    27 S   H    _HN3    25     1.01661   119.45658    -4.08835
   29    24 S   S    _SG2    35     1.82802   111.37274   -72.10201
   30    27 S   CT   _CA3    26     1.45279   123.04803   176.91434
   31    30 S   HC   HA31    27     1.09556   107.63034   -60.74960
   32    30 S   HC   HA32    28     1.09559   107.80571    55.61371
   33    29 S   CT   _C20    36     1.90849   101.91724   144.42118
   34    30 S   CO3  _C3_    29     1.52917   114.20873   177.49446
   35    34 S   O2Z  _O31    30     1.26356   116.07833    -1.20577
   36    34 S   O2Z  _O32    31     1.26436   114.40704   178.81304
   37    33 S   CA   _C21    37     1.53013   108.69451    52.47715
   38    33 S   CO4  _C19    68     1.53511   108.08903   172.80500
   39    38 S   O    _O36    69     1.22665   125.86885  -125.67641
   40    37 S   CA   _C22    38     1.39947   120.18600  -116.10847
   41    40 S   CA   _C23    39     1.41241   120.04903  -179.22116
   42    41 S   HA   _H18    40     1.08943   119.23936   179.32856
   43    40 S   CO   _C10    51     1.50030   122.00527    -0.09487
   44    43 S   HC   _H5_    52     1.09612   107.15692  -117.23684
   45    41 S   CA   _C24    41     1.39631   121.75285    -0.90049
   46    43 S   NE   _N4_    53     1.44961   116.27650     5.24198
   47    45 S   CA   _C25    42     1.39143   118.54740    -1.19288
   48    47 S   HA   _H19    43     1.08710   119.72039  -178.27025
   49    45 S   CT   _C27    47     1.49821   120.62664  -178.17329
   50    49 S   HC   _H21    48     1.09434   110.01756    87.68260
   51    49 S   HC   _H22    49     1.09512   110.94750  -151.83006
   52    49 S   HC   _H23    50     1.09511   110.90349   -32.82301
   53    33 S   CM   _C11    54     1.55608   106.91800   -75.61284
   54    46 S   CT1  _C8_    70     1.46998   106.89286   144.62407
   55    54 S   HC   _H4_    71     1.09597   109.05235  -136.84385
   56    37 S   CA   _C26    44     1.41477   122.39705    62.24978
   57    53 S   CMA  _C12    55     1.38425   121.34363   -72.40561
   58    57 S   OM   _O38    56     1.26691   127.21849   178.15337
   59    54 S   CO4  _C9_    72     1.51482   101.81697   -23.73140
   60    59 S   O    _O33    73     1.22128   126.01777  -164.90673
   61    54 S   CTE  _C6_    75     1.55545   114.59990    96.41346
   62    61 S   HC   _H3_    76     1.09339   108.92133    42.14381
   63    56 S   OH   _O37    45     1.37269   119.68144    -0.73754
   64    63 S   HO   _H20    46     0.97178   109.19575   178.42207
   65    57 S   CA   _C13    57     1.52808   116.01694    -4.76954
   66    43 S   OS   _O34    74     1.43342   108.82630   125.71989
   67    61 S   CT   _C7_    77     1.53721   108.79888   158.16225
   68    67 S   HC   _H11    78     1.09471   111.41400    69.99791
   69    67 S   HC   _H12    79     1.09524   110.92968   -50.44807
   70    67 S   HC   _H13    80     1.09415   111.40744  -169.18832
   71    61 S   CT   _C5_    81     1.54698   115.27245   -76.52926
   72    71 S   HC   _H9_    82     1.09317   109.59301    54.86096
   73    71 S   HC   _H10    83     1.09584   110.79657   -63.32515
   74    65 S   CA   _C14    58     1.40087   119.76641   -23.98748
   75    71 S   CT   _C4_    84     1.52497   113.66678   174.48182
   76    75 S   HC   _H6_    85     1.09366   111.64638    68.07827
   77    75 S   HC   _H7_    86     1.09446   111.12176   -53.41452
   78    75 S   HC   _H8_    87     1.09499   109.92391  -172.87712
   79    74 S   CA   _C15    59     1.40006   123.34854  -174.61217
   80    79 S   HA   _H14    60     1.08635   121.00455  -179.62518
   81    79 S   CA   _C16    61     1.38874   119.27276    -1.27196
   82    81 S   HA   _H15    62     1.08576   120.24917  -179.33943
   83    81 S   CA   _C17    63     1.39124   119.57945    -0.01978
   84    83 S   HA   _H16    64     1.08688   119.61730  -179.65452
   85    65 S   CA   _C18    65     1.41266   124.53185   160.28790
   86    85 S   OH   _O35    66     1.37215   123.04087    -4.56665
   87    86 S   HO   _H17    67     0.97625   107.66391     6.64736
  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
  17   2   1   1  18  12   4  14  13   4  12   5   8  13   8   3
   4   2   1   1  11  15   7   2   7   3   6   2  13   8   1   1
   9   1   7   3   2   1   6   5   4   7   3   2   1   1   6   3
   5   3   4   2   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    46    53    57    74    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    56    63    43    46    53    57    58    65    74    79    38    39    54  
   35    36  
   36  
    0  
   40    41    42    45    47    48    56    63    64    43    44    46    53    57    74    38    39    66  
   39    40    46    53    56    57    65    74    79    80    81    85  
   53    65    74    79  
   41    42    45    47    56    63    49    43    44    46    53    54    59    66  
   42    45    47    48    56    49    50    51    52    43    44    46    66  
   45    47    49    43  
   44    46    53    57    54    55    59    60    66    61    45    56  
   46    53    54    59    66  
   47    48    56    63    49    50    51    52  
   53    57    58    65    54    55    59    60    66    61    62    67    71  
   48    56    63    64    49    50    51    52  
   56    63    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    58    65    74    85    54    55    59    66    61    56  
   55    59    60    66    61    62    67    68    69    70    71    72    73    75    57  
   59    60    66    61    62    67    71  
   63    64  
   58    65    74    79    83    85    86  
   65    74    85  
   60    66    61    62    67    71  
   66    61  
   62    67    68    69    70    71    72    73    75    76    77    78    66  
   67    68    69    70    71    72    73    75  
   64  
    0  
   74    79    80    81    83    84    85    86    87  
    0  
   68    69    70    71    72    73    75  
   69    70    71  
   70    71  
   71  
   72    73    75    76    77    78  
   73    75    76    77    78  
   75    76    77    78  
   79    80    81    82    83    85    86  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86  
   83    84    85  
   84    85    86    87  
   85    86  
   86    87  
   87  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -0.263000   1.9050   1.6860   0.051222218  -2.220205820
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   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    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   317.000  1.510
   33    53   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    56   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    63   450.000  1.364
   63    64   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   320.000  1.442
   43    66   320.000  1.380
   46    53   425.000  1.378
   46    54   382.000  1.448
   53    57   465.000  1.376
   57    58   745.000  1.250
   57    65   320.000  1.460
   65    74   469.000  1.400
   65    85   469.000  1.400
   74    79   469.000  1.400
   74    38   310.000  1.470
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   450.000  1.364
   86    87   553.000  0.945
   38    39   570.000  1.229
   54    55   340.000  1.090
   54    59   255.000  1.522
   54    61   268.000  1.529
   59    60   570.000  1.229
   59    66   214.000  1.327
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    80.00000  109.48900
   29    33    53    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    53    46    75.00000  116.24600
   33    53    57    70.00000  124.00000
   33    38    74    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    56    47    63.00000  120.00000
   37    56    63    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  111.80000
   40    43    66    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    56    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    56    63    70.00000  120.00000
   56    37    40    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    63    64    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    50.00000  121.00000
   43    46    54    50.00000  115.00000
   43    66    59    95.00000  111.08000
   46    43    44    50.00000  108.16000
   46    53    57    70.00000  124.03900
   46    54    55    35.00000  109.50000
   46    54    59    80.00000  111.64100
   46    54    61    80.00000  109.70000
   53    33    37    70.00000  112.99600
   53    57    58    65.00000  137.10300
   53    57    65    60.00000  123.20500
   57    65    74    60.00000  120.93500
   57    65    85    60.00000  120.93500
   65    57    58    85.00000  114.86500
   65    74    79    63.00000  120.00000
   65    74    38    60.00000  119.52600
   65    85    83    63.00000  120.00000
   65    85    86    70.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    81    63.00000  120.00000
   74    38    39    75.00000  123.78400
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    70.00000  120.00000
   85    65    74    63.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    87    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    70.00000  109.06800
   38    74    79    60.00000  119.52600
   54    46    53    50.00000  121.00000
   54    59    60    75.00000  123.42600
   54    59    66    90.00000  109.72300
   54    61    62    37.50000  110.70000
   54    61    67    58.35000  112.70000
   54    61    71    58.35000  112.70000
   59    54    55    45.00000  110.09800
   66    43    44    35.00000  109.50000
   66    43    46    95.00000  112.71300
   66    59    60    83.00000  123.40000
   61    54    55    37.50000  110.70000
   61    54    59    63.00000  111.10000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   61    71    72    37.50000  110.70000
   61    71    73    37.50000  110.70000
   61    71    75    58.35000  112.70000
   67    61    62    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    61    62    37.50000  110.70000
   71    61    67    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    53    46   0.09700  1.0 1.0
   29    33    53    46   0.15600 -1.0 2.0
   29    33    53    46  -0.50800  1.0 3.0
   29    33    53    57   0.42700  1.0 1.0
   29    33    53    57  -0.70350 -1.0 2.0
   29    33    53    57  -0.43150  1.0 3.0
   29    33    38    74   0.65300  1.0 1.0
   29    33    38    74  -0.03850 -1.0 2.0
   29    33    38    74   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    56    47   3.62500 -1.0 2.0
   33    37    56    63   3.62500 -1.0 2.0
   33    53    57    58   7.00000 -1.0 2.0
   33    53    57    65   7.00000 -1.0 2.0
   37    33    53    46  -0.22650  1.0 1.0
   37    33    53    46   0.16900 -1.0 2.0
   37    33    53    46   1.14250  1.0 3.0
   37    33    53    57   1.44450  1.0 1.0
   37    33    53    57   0.06600 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    38    74   0.65300  1.0 1.0
   37    33    38    74  -0.03850 -1.0 2.0
   37    33    38    74   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46  -0.06000  1.0 1.0
   37    40   -43    46   0.30500 -1.0 2.0
   37    40   -43    46   0.09200  1.0 3.0
   37    40    43    66   0.64500  1.0 1.0
   37    40    43    66   0.14800 -1.0 2.0
   37    40    43    66   0.20650  1.0 3.0
   37    56    63    64   0.84100 -1.0 2.0
   40    37    56    47   3.62500 -1.0 2.0
   40    37    56    63   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53  -0.12500  1.0 1.0
   40    43    46    53  -0.12500 -1.0 2.0
   40    43    46    53   0.25000  1.0 3.0
   40    43    46    54   0.00000  1.0 1.0
   40    43    66    59  -0.43900 -1.0 2.0
   40    43    66    59   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46  -0.06000  1.0 1.0
   41    40    43    46   0.30500 -1.0 2.0
   41    40    43    46   0.09200  1.0 3.0
   41    40    43    66   0.64500  1.0 1.0
   41    40    43    66   0.14800 -1.0 2.0
   41    40    43    66   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    56   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -56    37   3.62500 -1.0 2.0
   45    47    56    63   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    56    63    64   0.84100 -1.0 2.0
   48    47    56    37   3.62500 -1.0 2.0
   48    47    56    63   3.62500 -1.0 2.0
   56    37   -40    41   3.62500 -1.0 2.0
   56    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    56   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   1.00000 -1.0 2.0
   43    46    53    57  -0.54700  1.0 1.0
   43    46    53    57   1.23000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46   -54    59   0.00000  1.0 1.0
   43    46    54    61   0.00000  1.0 1.0
   44    43    46    53   0.00000  1.0 1.0
   44    43    46    54   0.00000  1.0 1.0
   44    43    66    59   0.08050  1.0 3.0
   46    43   -66    59  -0.24150  1.0 1.0
   46    43   -66    59  -0.46200 -1.0 2.0
   46    43   -66    59   0.11700  1.0 3.0
   46    53    57    58   7.00000 -1.0 2.0
   46    53    57    65   7.00000 -1.0 2.0
   46    54    59    60   0.00000  1.0 1.0
   46    54   -59    66   0.40000  1.0 3.0
   46    54    61    62   0.23200  1.0 3.0
   46    54    61    67   1.32350  1.0 1.0
   46    54    61    67   0.47700 -1.0 2.0
   46    54    61    67   0.26100  1.0 3.0
   46    54    61    71   1.32350  1.0 1.0
   46    54    61    71   0.47700 -1.0 2.0
   46    54    61    71   0.26100  1.0 3.0
   53    33   -37    40   0.18050 -1.0 2.0
   53    33    37    56   0.18050 -1.0 2.0
   53    33    38    74   0.65300  1.0 1.0
   53    33    38    74  -0.03850 -1.0 2.0
   53    33    38    74   0.33900  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    54    55   0.00000  1.0 1.0
   53    46    54    59  -0.12500  1.0 1.0
   53    46    54    59  -0.12500 -1.0 2.0
   53    46    54    59   0.25000  1.0 3.0
   53    46    54    61   0.25450  1.0 1.0
   53    46    54    61  -0.61700 -1.0 2.0
   53    46    54    61  -0.23550  1.0 3.0
   53    57   -65    74   0.15800  1.0 1.0
   53    57   -65    74   1.85350 -1.0 2.0
   53    57   -65    74  -0.48700  1.0 3.0
   53    57    65    85   0.15800  1.0 1.0
   53    57    65    85   1.85350 -1.0 2.0
   53    57    65    85  -0.48700  1.0 3.0
   57    65    74    79   3.62500 -1.0 2.0
   57    65    74    38   3.62500 -1.0 2.0
   57    65    85    83   3.62500 -1.0 2.0
   57    65    85    86   3.62500 -1.0 2.0
   58    57    65    74  -0.01750  1.0 1.0
   58    57    65    74  -0.32000 -1.0 2.0
   58    57    65    74   0.00600  1.0 3.0
   58    57    65    85  -0.01750  1.0 1.0
   58    57    65    85  -0.32000 -1.0 2.0
   58    57    65    85   0.00600  1.0 3.0
   65    74    79    80   3.62500 -1.0 2.0
   65    74    79    81   3.62500 -1.0 2.0
   65    74   -38    33   2.26350  1.0 1.0
   65    74   -38    33   0.76750 -1.0 2.0
   65    74   -38    33   0.22500  1.0 3.0
   65    74    38    39   1.05000 -1.0 2.0
   65    85    86    87   0.84100 -1.0 2.0
   74    65    85    83   3.62500 -1.0 2.0
   74    65    85    86   3.62500 -1.0 2.0
   74    79    81    82   3.62500 -1.0 2.0
   74    79   -81    83   3.62500 -1.0 2.0
   79    74    38    33   2.26350  1.0 1.0
   79    74    38    33   0.76750 -1.0 2.0
   79    74    38    33   0.22500  1.0 3.0
   79    74    38    39   1.05000 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81    83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83   -85    65   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85    86    87   0.84100 -1.0 2.0
   84    83    85    65   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    65   -74    79   3.62500 -1.0 2.0
   85    65    74    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    56   0.04300 -1.0 2.0
   38    33    53    46   0.09700  1.0 1.0
   38    33    53    46   0.15600 -1.0 2.0
   38    33    53    46  -0.50800  1.0 3.0
   38    33   -53    57  -0.51250  1.0 1.0
   38    33   -53    57  -0.88800 -1.0 2.0
   38    33   -53    57   0.08850  1.0 3.0
   38    74    79    80   3.62500 -1.0 2.0
   38    74    79    81   3.62500 -1.0 2.0
   54    46    53    33   1.00000 -1.0 2.0
   54    46    53    57  -0.54700  1.0 1.0
   54    46    53    57   1.23000 -1.0 2.0
   54    59   -66    43   1.63150  1.0 1.0
   54    59   -66    43   2.92000 -1.0 2.0
   54    61    67    68   0.15000  1.0 3.0
   54    61    67    69   0.15000  1.0 3.0
   54    61    67    70   0.15000  1.0 3.0
   54    61    71    72   0.15000  1.0 3.0
   54    61    71    73   0.15000  1.0 3.0
   54    61    71    75   0.65000  1.0 1.0
   54    61    71    75  -0.02500 -1.0 2.0
   54    61    71    75   0.10000  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    66   0.00000  1.0 1.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    67   0.15000  1.0 3.0
   55    54    61    71   0.15000  1.0 3.0
   59    54    61    62  -0.03800  1.0 3.0
   59    54    61    67   0.33900  1.0 1.0
   59    54    61    67   0.63800 -1.0 2.0
   59    54    61    71   0.33900  1.0 1.0
   59    54    61    71   0.63800 -1.0 2.0
   60    59    66    43   3.00000 -1.0 2.0
   66    43    46    53   0.75000  1.0 1.0
   66    43    46    53  -0.75000 -1.0 2.0
   66    43   -46    54   0.00000  1.0 1.0
   61    54    59    60   0.00000  1.0 1.0
   61    54    59    66   0.36750  1.0 3.0
   61    71    75    76   0.15000  1.0 3.0
   61    71    75    77   0.15000  1.0 3.0
   61    71    75    78   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    70   0.15000  1.0 3.0
   62    61    71    72   0.15000  1.0 3.0
   62    61    71    73   0.15000  1.0 3.0
   62    61    71    75   0.15000  1.0 3.0
   67    61    71    72   0.15000  1.0 3.0
   67    61    71    73   0.15000  1.0 3.0
   67    61    71    75   0.65000  1.0 1.0
   67    61    71    75  -0.02500 -1.0 2.0
   67    61    71    75   0.10000  1.0 3.0
   71    61    67    68   0.15000  1.0 3.0
   71    61    67    69   0.15000  1.0 3.0
   71    61    67    70   0.15000  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   40    56    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   56    48    47    45   1.10000 -1.0 2.0
   47    63    56    37   4.00000 -1.0 2.0
   54    53    46    43   1.00000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   74    85    65    57   4.00000 -1.0 2.0
   79    38    74    65   4.00000 -1.0 2.0
   81    80    79    74   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    65   4.00000 -1.0 2.0
   33    74    38    39  10.50000 -1.0 2.0
   54    66    59    60  10.50000 -1.0 2.0
END
