* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    251     467
    1     0 S   NP   _N1_     1    29.25641    95.52830   -18.30184
    2     1 S   H    _HN1     2     1.02770    70.18441   -61.53464
    3     1 S   H    _H1_     3     1.02971   100.28625    44.38550
    4     1 S   H    _H2_     4     1.02829    42.97606   148.26148
    5     1 S   CT   _CA1     5     1.50289   145.63536  -162.34017
    6     5 S   HC   _HA1     6     1.09580   105.07687    26.02664
    7     5 S   CO3  _C1_     7     1.53872   112.50656   -93.60710
    8     7 S   O2Z  _O11     8     1.26411   115.04018   -34.30921
    9     7 S   O2Z  _O12     9     1.26230   114.99920   144.50191
   10     5 S   CT   _CB1    10     1.53101   107.20981   143.71799
   11    10 S   HC   HB11    11     1.09814   109.08831   -49.41037
   12    10 S   HC   HB12    12     1.09826   110.30007    66.93011
   13    10 S   CT   _CG1    13     1.53091   113.14354  -170.73541
   14    13 S   HC   HG11    14     1.09536   110.05744   -64.78393
   15    13 S   HC   HG12    15     1.09615   110.31911    54.39379
   16    13 S   C    _CD1    16     1.51953   112.02895   174.22932
   17    16 S   O    _OE1    17     1.22785   122.99110   -17.35047
   18    16 S   N    _N2_    18     1.38623   112.06686   163.60986
   19    18 S   H    _HN2    19     1.01607   119.00343    -0.41965
   20    18 S   CT1  _CA2    20     1.46317   123.35696  -175.82801
   21    20 S   HC   _HA2    21     1.09733   109.18746   -15.14414
   22    20 S   C    _C2_    22     1.53336   108.65067  -131.01149
   23    22 S   O    _O2_    23     1.23023   122.20958  -147.49351
   24    20 S   CT   _CB2    32     1.53750   111.49985   106.61687
   25    24 S   HC   HB21    33     1.09399   109.69184    60.87100
   26    24 S   HC   HB22    34     1.09538   110.32466   178.60394
   27    22 S   N    _N3_    24     1.38503   113.39811    40.00629
   28    27 S   H    _HN3    25     1.01535   118.85049    -0.81589
   29    24 S   S    _SG2    35     1.83130   111.19805   -62.58470
   30    27 S   CT   _CA3    26     1.45440   123.43575   175.15297
   31    30 S   HC   HA31    27     1.09528   109.17707    25.27353
   32    30 S   HC   HA32    28     1.09495   107.12811   142.24934
   33    29 S   CT   _C13    36     1.86689   102.15327   139.59677
   34    30 S   CO3  _C3_    29     1.52928   113.19473   -98.17879
   35    34 S   O2Z  _O31    30     1.26399   115.44687   -44.10426
   36    34 S   O2Z  _O32    31     1.26365   114.96943   136.87619
   37    33 S   CO4  _C18    37     1.52005   106.02655    67.44829
   38    37 S   O    _O35    38     1.23149   122.41852   -87.97051
   39    33 S   CO4  _C12    70     1.54450   110.34578   -56.79739
   40    39 S   O    _O33    71     1.23097   123.05561   -18.25945
   41    37 S   CM   _C17    39     1.48584   118.95189    90.12345
   42    41 S   HC   _H15    40     1.08860   114.31495  -176.44455
   43    39 S   CM   _C11    72     1.49982   117.14544   165.90868
   44    43 S   HC   _H14    73     1.08288   117.59194    -9.57103
   45    41 S   CMA  _C16    41     1.34555   126.18452     2.12191
   46    45 S   OM   _O36    42     1.26133   129.26249  -178.12018
   47    43 S   CM   _C10    74     1.34086   120.13753   168.76886
   48    47 S   HC   _H13    75     1.08806   120.02629     1.62666
   49    45 S   CO4  _C15    43     1.51712   115.21705     2.04603
   50    49 S   O    _O34    44     1.23264   121.62293  -160.81036
   51    47 S   CA   _C9_    76     1.47319   124.87055  -178.38638
   52    33 S   CT   _C14    45     1.54015   110.02277  -174.34716
   53    52 S   HC   _H3_    46     1.09918   109.90186   176.96559
   54    51 S   CA   _C4_    77     1.40336   122.98306    25.95269
   55    54 S   HA   _H9_    78     1.08699   121.18752    -1.02793
   56    52 S   OS1  _O37    47     1.42575   108.97248    56.36007
   57    54 S   CA   _C5_    79     1.39721   120.69703   178.14523
   58    57 S   HA   _H10    80     1.08640   119.80205   179.88297
   59    56 S   CO1  _C19    48     1.43090   114.58501   141.55444
   60    59 S   HC   _H4_    49     1.09759   108.59038    56.48335
   61    57 S   CA   _C6_    81     1.39048   119.73414    -0.44411
   62    59 S   CT   _C20    50     1.53379   106.44893   175.95959
   63    62 S   HC   _H5_    51     1.09587   109.52716    50.59380
   64    61 S   CA   _C7_    82     1.39113   120.62625    -0.20558
   65    64 S   HA   _H11    83     1.08602   121.03230  -179.65001
   66    61 S   OH   _O43    86     1.36579   118.23993  -179.94065
   67    66 S   HO   _H22    87     0.97242   108.59117  -179.87489
   68    62 S   CT   _C21    52     1.52968   111.86495   172.64145
   69    68 S   HC   _H6_    53     1.09658   110.21564    75.03532
   70    62 S   OH5  _O42    68     1.43017   110.14436   -65.60641
   71    70 S   HO   _H21    69     0.97234   108.17221   -54.87129
   72    51 S   CA   _C8_    84     1.40420   118.42324  -157.00131
   73    72 S   HA   _H12    85     1.08834   120.53657     1.87826
   74    68 S   CT   _C22    54     1.53220   111.50830   -47.87547
   75    74 S   HC   _H7_    55     1.09628   108.85763   -72.23250
   76    68 S   OH5  _O41    66     1.43054   109.46348  -169.14232
   77    76 S   HO   _H20    67     0.97671   107.72195    61.15076
   78    74 S   CT   _C23    56     1.53278   110.45619    49.39079
   79    78 S   HC   _H8_    57     1.09833   110.25326    63.44699
   80    74 S   OH5  _O40    64     1.42689   109.72257   170.92567
   81    80 S   HO   _H19    65     0.97218   108.20261   -56.41529
   82    59 S   OS1  _O38    58     1.42862   110.64449   -64.47070
   83    78 S   CT   _C24    59     1.53135   113.00879  -176.82571
   84    83 S   HC   _H16    60     1.09438   110.96159   -64.83591
   85    83 S   HC   _H17    61     1.09482   110.03979   174.52439
   86    83 S   OH5  _O39    62     1.42229   110.73727    55.56304
   87    86 S   HO   _H18    63     0.97236   107.14244   176.54192
  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  11   5   4   3
  16   2   1   1  12   5  11   4   6   3   7   3   6   3   8   3
   5   3   9   6   2   8   4   8   7   3  13   6   6  12   7   5
   3   2   1  13   7   4   1   1   1  12   7   3   1   9   6   3
   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    52    53    56    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    49    50    52    53    56    59    39    40    43    44    47  
   35    36  
   36  
    0  
   38    41    42    45    46    49    52    53    56    39    40    43  
   41    42    45    52    39  
   40    43    44    47    48    51    41    49    52    53    56  
   43    44    47    52  
   42    45    46    49    50    52  
   45    46    49  
   44    47    48    51    54    72    52  
   47    48    51  
   46    49    50    52    53    56  
   49    50    52  
   48    51    54    55    57    64    72    73  
   51    54    72  
   50    52    53    56    59  
   52    53    56  
   54    55    57    58    61    64    65    72    73  
   53    56    59    60    62    82  
   56    59  
   55    57    58    61    64    72    73    66  
   57    58    61    72  
   59    60    62    63    68    78    82    70  
   58    61    64    65    72    66    67  
   61    64    66  
   60    62    63    68    69    74    78    79    82    83    76    70    71  
   62    63    68    78    82    70  
   64    65    72    73    66    67  
   63    68    69    74    75    78    82    80    76    77    70    71  
   68    69    74    82    76    70    71  
   65    72    73    66    67  
   72    73    66  
   67    72  
    0  
   69    74    75    78    79    82    83    80    81    76    77    70    71  
   74    75    78    80    76    77    70  
   71    74    76    82  
    0  
   73  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   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    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  1.522
   33    52   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   340.000  1.080
   41    45   465.000  1.376
   45    46   745.000  1.250
   45    49   270.000  1.476
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    53   340.000  1.090
   52    56   335.000  1.422
   56    59   370.000  1.399
   59    60   360.000  1.097
   59    62   255.000  1.525
   59    82   370.000  1.399
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   70    71   580.000  0.967
   39    40   570.000  1.229
   39    43   320.000  1.462
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    51   320.000  1.460
   51    54   469.000  1.400
   51    72   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   367.000  1.080
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  110.18000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    52    49    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    56    95.00000  107.88500
   33    39    40    80.00000  120.40000
   33    39    43    65.00000  118.62400
   37    41    42    40.00000  117.72500
   37    41    45    60.00000  125.92000
   41    37    38    80.00000  123.72100
   41    45    46    65.00000  137.10300
   41    45    49    65.00000  114.61000
   45    41    42    40.00000  120.50800
   45    49    50    80.00000  120.81000
   45    49    52    65.00000  118.62400
   49    45    46    85.00000  116.28000
   49    52    53    35.00000  109.50000
   49    52    56    90.00000  108.74100
   52    33    37    63.00000  111.10000
   52    49    50    80.00000  120.40000
   52    56    59    90.00000  112.10700
   56    52    53    55.00000  108.98800
   56    59    60    60.00000  105.75400
   56    59    62    90.00000  109.70700
   56    59    82   110.00000  113.16000
   59    62    63    45.00000  109.54000
   59    62    68    70.00000  111.10000
   59    62    70    90.00000  109.42000
   59    82    78    90.00000  112.10700
   62    59    60    45.00000  111.65000
   62    68    69    37.50000  110.70000
   62    68    74    58.35000  112.70000
   62    68    76    90.00000  111.45300
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    58.35000  112.70000
   68    74    80    90.00000  111.45300
   68    76    77    65.00000  108.53500
   74    68    69    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    59    60    60.00000  105.75400
   82    59    62    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    68    69    60.00000  109.39000
   76    68    74    90.00000  111.45300
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   39    33    37    75.00000  107.99600
   39    33    52    63.00000  111.10000
   39    43    44    40.00000  117.72500
   39    43    47    65.00000  118.96000
   43    39    40    80.00000  123.72100
   43    47    48    35.00000  120.00000
   43    47    51    60.00000  123.20500
   47    43    44    35.00000  120.00000
   47    51    54    60.00000  120.93500
   47    51    72    60.00000  120.93500
   51    47    48    40.00000  117.26300
   51    54    55    35.00000  120.00000
   51    54    57    63.00000  120.00000
   51    72    64    63.00000  120.00000
   51    72    73    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    64    63.00000  120.00000
   57    61    66    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    72    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    72    73    35.00000  120.00000
   72    51    54    63.00000  120.00000
   72    64    65    35.00000  120.00000
   66    61    64    70.00000  120.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    43   0.65300  1.0 1.0
   29    33    39    43  -0.03850 -1.0 2.0
   29    33    39    43   0.33900  1.0 3.0
   33    37    41    42   0.04550  1.0 1.0
   33    37    41    42   0.83000 -1.0 2.0
   33    37    41    42  -0.04000  1.0 3.0
   33    37    41    45  -0.33500  1.0 1.0
   33    37    41    45   1.06600 -1.0 2.0
   33    37    41    45  -0.14000  1.0 3.0
   33    52    56    59   0.06250  1.0 1.0
   33    52    56    59  -0.01100 -1.0 2.0
   33    52    56    59   0.28050  1.0 3.0
   33    39    43    44   0.04550  1.0 1.0
   33    39    43    44   0.83000 -1.0 2.0
   33    39    43    44  -0.04000  1.0 3.0
   33    39    43    47  -0.33500  1.0 1.0
   33    39    43    47   1.06600 -1.0 2.0
   33    39    43    47  -0.14000  1.0 3.0
   37    33    52    49   0.11950  1.0 1.0
   37    33    52    49   0.20300 -1.0 2.0
   37    33    52    49  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    56  -0.09450  1.0 1.0
   37    33    52    56  -1.12950 -1.0 2.0
   37    33    52    56   0.54000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    43   0.65300  1.0 1.0
   37    33    39    43  -0.03850 -1.0 2.0
   37    33    39    43   0.33900  1.0 3.0
   37    41    45    46   7.00000 -1.0 2.0
   37    41   -45    49   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   1.00000 -1.0 2.0
   41    45    49    50   1.00000 -1.0 2.0
   41    45    49    52  -0.33500  1.0 1.0
   41    45    49    52   1.06600 -1.0 2.0
   41    45    49    52  -0.14000  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    49   7.00000 -1.0 2.0
   45    49   -52    33   0.65300  1.0 1.0
   45    49   -52    33  -0.03850 -1.0 2.0
   45    49   -52    33   0.33900  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.65300  1.0 1.0
   45    49    52    56  -0.03850 -1.0 2.0
   45    49    52    56   0.33900  1.0 3.0
   46    45    49    50  -0.11900  1.0 1.0
   46    45    49    50   0.76850 -1.0 2.0
   46    45    49    50   0.14100  1.0 3.0
   46    45    49    52   0.32450 -1.0 2.0
   46    45    49    52   0.17400  1.0 3.0
   49    52    56    59  -1.11000  1.0 1.0
   49    52    56    59   0.50250 -1.0 2.0
   49    52    56    59   0.47450  1.0 3.0
   50    49    52    33   0.30150 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.30150 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    41   0.65300  1.0 1.0
   52    33   -37    41  -0.03850 -1.0 2.0
   52    33   -37    41   0.33900  1.0 3.0
   52    33    39    40   0.30150 -1.0 2.0
   52    33    39    43   0.65300  1.0 1.0
   52    33    39    43  -0.03850 -1.0 2.0
   52    33    39    43   0.33900  1.0 3.0
   52    56    59    60   0.37050  1.0 3.0
   52    56    59    62   0.06250  1.0 1.0
   52    56    59    62  -0.01100 -1.0 2.0
   52    56    59    62   0.28050  1.0 3.0
   52    56    59    82  -0.12700  1.0 1.0
   52    56    59    82  -1.16200 -1.0 2.0
   52    56    59    82   0.58800  1.0 3.0
   53    52    56    59   0.37050  1.0 3.0
   56    59    62    63   0.23400  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   56    59    62    70   1.51850  1.0 1.0
   56    59    82    78  -0.70400  1.0 1.0
   56    59    82    78  -0.90350 -1.0 2.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    74   0.56750  1.0 1.0
   59    62    68    74  -0.07550 -1.0 2.0
   59    62    68    74   0.20000  1.0 3.0
   59    62    68    76  -0.47750  1.0 1.0
   59    62    70    71   0.29150  1.0 1.0
   59    62    70    71  -0.28350 -1.0 2.0
   59    62    70    71   0.43600  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    70   0.23400  1.0 3.0
   60    59    82    78   0.37050  1.0 3.0
   62    59    82    78   0.06250  1.0 1.0
   62    59    82    78  -0.01100 -1.0 2.0
   62    59    82    78   0.28050  1.0 3.0
   62    68    74    75   0.15000  1.0 3.0
   62    68   -74    78   0.56750  1.0 1.0
   62    68   -74    78  -0.07550 -1.0 2.0
   62    68   -74    78   0.20000  1.0 3.0
   62    68    74    80  -0.47750  1.0 1.0
   62    68    76    77   0.29150  1.0 1.0
   62    68    76    77  -0.28350 -1.0 2.0
   62    68    76    77   0.43600  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    74   0.15000  1.0 3.0
   63    62    68    76   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    74    78    79   0.15000  1.0 3.0
   68    74    78    82   0.62750  1.0 1.0
   68    74    78    82  -0.30950 -1.0 2.0
   68    74    78    82   0.27300  1.0 3.0
   68    74    78    83   0.56750  1.0 1.0
   68    74    78    83  -0.07550 -1.0 2.0
   68    74    78    83   0.20000  1.0 3.0
   68    74    80    81   0.29150  1.0 1.0
   68    74    80    81  -0.28350 -1.0 2.0
   68    74    80    81   0.43600  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    78   0.15000  1.0 3.0
   69    68    74    80   0.23400  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   74    68    76    77   0.29150  1.0 1.0
   74    68    76    77  -0.28350 -1.0 2.0
   74    68    76    77   0.43600  1.0 3.0
   74    78   -82    59   0.06250  1.0 1.0
   74    78   -82    59  -0.01100 -1.0 2.0
   74    78   -82    59   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    59   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    59    62    63   0.23400  1.0 3.0
   82    59   -62    68   0.62750  1.0 1.0
   82    59   -62    68  -0.30950 -1.0 2.0
   82    59   -62    68   0.27300  1.0 3.0
   82    59    62    70   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    59   0.06250  1.0 1.0
   83    78    82    59  -0.01100 -1.0 2.0
   83    78    82    59   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    78  -0.47750  1.0 1.0
   76    68    74    80   3.77950  1.0 1.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    74  -0.47750  1.0 1.0
   70    62    68    76   3.77950  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    52    49   0.11950  1.0 1.0
   39    33    52    49   0.20300 -1.0 2.0
   39    33    52    49  -0.70800  1.0 3.0
   39    33    52    53  -0.11250  1.0 3.0
   39    33    52    56  -0.09450  1.0 1.0
   39    33    52    56  -1.12950 -1.0 2.0
   39    33    52    56   0.54000  1.0 3.0
   39    43    47    48   7.00000 -1.0 2.0
   39    43    47    51   7.00000 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   1.00000 -1.0 2.0
   43    47    51    54   0.15800  1.0 1.0
   43    47    51    54   1.85350 -1.0 2.0
   43    47    51    54  -0.48700  1.0 3.0
   43    47    51    72   0.15800  1.0 1.0
   43    47    51    72   1.85350 -1.0 2.0
   43    47    51    72  -0.48700  1.0 3.0
   44    43    47    48   7.00000 -1.0 2.0
   44    43    47    51   7.00000 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   47    51    72    64   3.62500 -1.0 2.0
   47    51    72    73   3.62500 -1.0 2.0
   48    47    51    54   0.56550  1.0 3.0
   48    47    51    72   0.56550  1.0 3.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54    57    61   3.62500 -1.0 2.0
   54    51    72    64   3.62500 -1.0 2.0
   54    51    72    73   3.62500 -1.0 2.0
   54    57   -61    64   3.62500 -1.0 2.0
   54    57    61    66   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61    64    65   3.62500 -1.0 2.0
   57    61    64    72   3.62500 -1.0 2.0
   57    61    66    67   0.84100 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   61    64   -72    51   3.62500 -1.0 2.0
   61    64    72    73   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   65    64    72    51   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   72    51    54    55   3.62500 -1.0 2.0
   72    51   -54    57   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    72   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    42    41    45   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   45    52    49    50  10.50000 -1.0 2.0
   33    43    39    40  10.50000 -1.0 2.0
   39    44    43    47  15.00000 -1.0 2.0
   51    48    47    43  15.00000 -1.0 2.0
   54    72    51    47   4.00000 -1.0 2.0
   57    55    54    51   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    66    61    57   4.00000 -1.0 2.0
   72    65    64    61   1.10000 -1.0 2.0
   64    73    72    51   1.10000 -1.0 2.0
END
