* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    166    265     487
    1     0 S   NP   _N1_     1    28.83849    94.59170   -20.85361
    2     1 S   H    _HN1     2     1.02962    90.58390    36.73313
    3     1 S   H    _H1_     3     1.02834    30.22650   161.25054
    4     1 S   H    _H2_     4     1.02775    90.20651   -71.55697
    5     1 S   CT   _CA1     5     1.50144   140.99184   161.24146
    6     5 S   HC   _HA1     6     1.09593   105.17881    59.19787
    7     5 S   CO3  _C1_     7     1.53752   112.17712   -60.70556
    8     7 S   O2Z  _O11     8     1.26340   114.98162   -49.20654
    9     7 S   O2Z  _O12     9     1.26249   114.84016   129.58690
   10     5 S   CT   _CB1    10     1.53090   107.34741   176.71568
   11    10 S   HC   HB11    11     1.09817   109.04239   -52.97124
   12    10 S   HC   HB12    12     1.09816   110.57408    63.48085
   13    10 S   CT   _CG1    13     1.52987   112.70611  -174.22250
   14    13 S   HC   HG11    14     1.09563   110.18272   -66.33253
   15    13 S   HC   HG12    15     1.09652   110.10578    52.75400
   16    13 S   C    _CD1    16     1.51894   112.35767   172.78338
   17    16 S   O    _OE1    17     1.22731   123.22767    -7.74372
   18    16 S   N    _N2_    18     1.38607   111.70155   173.26006
   19    18 S   H    _HN2    19     1.01571   118.89571    -0.09279
   20    18 S   CT1  _CA2    20     1.46320   123.51633   179.20722
   21    20 S   HC   _HA2    21     1.09736   109.31043   -15.88121
   22    20 S   C    _C2_    22     1.53458   107.99954  -131.39767
   23    22 S   O    _O2_    23     1.23004   122.32341  -145.37610
   24    20 S   CT   _CB2    32     1.53417   111.60976   106.50933
   25    24 S   HC   HB21    33     1.09597   109.66778    52.78579
   26    24 S   HC   HB22    34     1.09502   110.77361   171.78769
   27    22 S   N    _N3_    24     1.38530   113.30847    41.90679
   28    27 S   H    _HN3    25     1.01533   118.91012    -0.48698
   29    24 S   S    _SG2    35     1.82532   111.88984   -68.52755
   30    27 S   CT   _CA3    26     1.45443   123.46133   175.18533
   31    30 S   HC   HA31    27     1.09522   109.25584    24.07079
   32    30 S   HC   HA32    28     1.09496   107.12053   141.08448
   33    29 S   CT   _C24    36     1.82435    98.87762   165.30131
   34    33 S   HC   _H25    37     1.09276   108.18115   -49.09641
   35    33 S   HC   _H26    38     1.09474   108.56806    68.40961
   36    30 S   CO3  _C3_    29     1.52920   113.09079   -99.41325
   37    36 S   O2Z  _O31    30     1.26403   115.39877   -44.41542
   38    36 S   O2Z  _O32    31     1.26351   114.98016   136.50728
   39    33 S   CT   _C16    39     1.53372   110.96007  -170.39925
   40    39 S   HC   _H5_    40     1.09617   109.44965   -58.40784
   41    39 S   CT   _C15    41     1.53698   111.51515   177.31270
   42    41 S   HC   _H4_    42     1.09538   112.96424    29.20836
   43    41 S   CT   _C18    43     1.52338   102.11473   -91.78671
   44    43 S   HC   _H7_    44     1.09578   110.04337    81.67009
   45    41 S   N    _N5_    64     1.46210   111.12008   149.08293
   46    45 S   H    _H19    65     1.01617   117.92877   103.97780
   47    43 S   CO   _C17    45     1.52064   101.61931   -36.65646
   48    47 S   HC   _H6_    46     1.09655   110.90253   -83.18832
   49    43 S   OH   _O37    62     1.41574   113.20815  -156.84151
   50    49 S   HO   _H20    63     0.97287   107.44456   -58.87745
   51    45 S   C    _C14    66     1.38554   122.80419   -76.05585
   52    51 S   O    _O35    67     1.22968   124.36312     0.13706
   53    47 S   N*   _N6_    47     1.44847   115.45645   154.73371
   54    39 S   OS   _O36    61     1.44567   109.84121    59.77069
   55    51 S   CT1  _C6_    68     1.52907   112.77467   177.74953
   56    55 S   HC   _H3_    69     1.09669   109.58482    34.86661
   57    53 S   CRAB _C19    48     1.37104   124.73685   116.26168
   58    57 S   HA   _H21    49     1.08191   122.53235    -1.67257
   59    55 S   CT   _C7_    70     1.53784   111.11771   -88.25316
   60    59 S   HC   _H12    71     1.09843   109.79381   -52.13927
   61    59 S   HC   _H13    72     1.09816   110.21062  -167.72030
   62    55 S   N    _N4_    85     1.45874   106.72123   150.97940
   63    62 S   H    _H11    86     1.01671   118.08914    25.20232
   64    57 S   NNA  _N7_    50     1.31560   112.11863   177.97600
   65    59 S   CA   _C8_    73     1.51005   113.67851    71.20662
   66    62 S   C    _C5_    87     1.38311   122.53819  -156.23090
   67    66 S   O    _O33    88     1.22788   125.28105    -0.27695
   68    64 S   C56B _C20    51     1.37524   104.98716    -0.15826
   69    65 S   CA   _C9_    74     1.40210   120.51709  -109.20854
   70    69 S   HA   _H14    75     1.08730   120.46616    -0.62244
   71    66 S   CT   _C4_    89     1.50442   112.57271  -179.16584
   72    71 S   HC   _H8_    90     1.09332   109.38848    75.38144
   73    71 S   HC   _H9_    91     1.09348   109.62729  -164.77928
   74    71 S   HC   _H10    92     1.09378   110.46532   -45.16001
   75    53 S   C56A _C21    52     1.36881   128.09295   -65.85964
   76    69 S   CA   _C10    76     1.39539   120.50523   178.69944
   77    76 S   HA   _H15    77     1.08632   119.84127  -179.41349
   78    75 S   NB   _N8_    53     1.34138   128.15716     2.24847
   79    76 S   CA   _C11    78     1.39133   119.62618     0.13417
   80    78 S   CQ   _C22    54     1.34556   110.96395  -179.53354
   81    80 S   HA   _H22    55     1.08465   115.79844  -179.92338
   82    79 S   CA   _C12    79     1.39245   120.75352     0.27411
   83    82 S   HA   _H16    80     1.08600   120.99513   179.86294
   84    79 S   OH   _O34    83     1.36604   118.17879  -179.51101
   85    84 S   HO   _H18    84     0.97235   108.62258  -179.31872
   86    80 S   NB   _N9_    56     1.35177   128.60789     0.15577
   87    65 S   CA   _C13    81     1.40274   120.43830    70.03629
   88    87 S   HA   _H17    82     1.08760   120.25552     1.09593
   89    68 S   CA   _C23    57     1.40384   131.66868  -179.34389
   90    89 S   NND  _N10    58     1.38131   122.20076     0.76310
   91    90 S   H    _H23    59     1.01068   120.19858     4.10255
   92    90 S   H    _H24    60     1.01061   118.98623   173.83379
  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   7   5   4   3
  10   5   4   2   1   1  13   6  14   8  12   7  10   3  11   5
   3   1  10   4   9   2  12   7   6   3  12   5   4   8   3   6
   9   5   4   8   8   4   3   2   1   1   6   7   3   4   6   4
   2   5   3   2   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    53    54    49    45    46    51  
   41    42    43    47    54    45  
   42    43    44    47    48    53    54    49    50    45    46    51    52    55  
   43    44    47    54    49    45    46    51  
   44    47    48    53    57    75    54    49    50    45    46    51  
   47    48    53    54    49    50    45  
   46    51    52    55    56    59    62    47    49    54  
   51    52    55  
   48    53    57    58    64    68    75    78    54    49    50  
   53    57    75    54    49  
   50    53    54  
    0  
   52    55    56    59    60    61    65    62    63    66  
   55    56    59    62  
   57    58    64    68    75    78    80    89    54  
   57    75  
   56    59    60    61    65    69    87    62    63    66    67    71  
   59    60    61    65    62    63    66  
   58    64    68    75    78    89  
   64    68    75  
   60    61    65    69    70    76    82    87    88    62    63    66  
   61    65    69    87    62  
   65    69    87    62  
   63    66    67    71    72    73    74    65  
   66    67    71  
   68    75    78    86    89    90  
   69    70    76    77    79    82    83    87    88  
   67    71    72    73    74  
   71    72    73    74  
   75    78    80    86    89    90    91    92  
   70    76    77    79    82    87    88    84  
   76    77    79    87  
   72    73    74  
   73    74  
   74  
    0  
   78    80    81    86    89    90  
   77    79    82    83    87    84    85  
   79    82    84  
   80    81    86    89  
   82    83    87    88    84    85  
   81    86    89    90  
   86    89  
   83    87    88    84    85  
   87    88    84  
   85    87  
    0  
   89    90    91    92  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   90   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.370000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   337.000  1.449
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    53   275.000  1.479
   47    54   320.000  1.380
   53    57   440.000  1.371
   53    75   436.000  1.374
   57    58   367.000  1.080
   57    64   529.000  1.304
   64    68   414.000  1.391
   68    75   447.000  1.419
   68    89   469.000  1.404
   75    78   461.000  1.354
   78    80   502.000  1.324
   80    81   367.000  1.080
   80    86   502.000  1.324
   86    89   483.000  1.339
   89    90   481.000  1.340
   90    91   434.000  1.010
   90    92   434.000  1.010
   49    50   553.000  0.945
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.510
   65    69   469.000  1.400
   65    87   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    82   469.000  1.400
   79    84   450.000  1.364
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   84    85   553.000  0.945
   62    63   434.000  1.010
   62    66   490.000  1.335
   66    67   570.000  1.229
   66    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    70.00000  110.72300
   39    54    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    38.00000  118.40000
   41    45    51    50.00000  121.90000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    53    75.00000  107.44000
   43    47    54    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    53    57    70.00000  128.80000
   47    53    75    70.00000  125.80000
   53    47    48    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    64    70.00000  113.90000
   53    75    68    70.00000  106.20000
   53    75    78    70.00000  126.20000
   57    64    68    70.00000  103.80000
   64    57    58    35.00000  123.05000
   64    68    75    70.00000  110.40000
   64    68    89    70.00000  132.40000
   68    75    78    70.00000  127.70000
   68    89    86    70.00000  117.30000
   68    89    90    70.00000  123.50000
   75    53    57    70.00000  105.40000
   75    78    80    70.00000  111.00000
   78    80    81    35.00000  115.45000
   78    80    86    70.00000  129.10000
   80    86    89    70.00000  118.60000
   86    80    81    35.00000  115.45000
   86    89    90    70.00000  119.30000
   89    68    75    85.00000  116.20000
   89    90    91    35.00000  120.00000
   89    90    92    35.00000  120.00000
   92    90    91    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    53   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    70.00000  110.72300
   45    51    52    80.00000  122.90000
   45    51    55    70.00000  116.60000
   51    45    46    35.00000  119.80000
   51    55    56    35.00000  109.50000
   51    55    59    63.00000  111.10000
   51    55    62    63.00000  110.10000
   55    51    52    80.00000  120.40000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    65    63.00000  114.00000
   55    62    63    38.00000  118.40000
   55    62    66    50.00000  121.90000
   59    55    56    37.50000  110.70000
   59    65    69    70.00000  120.00000
   59    65    87    70.00000  120.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    76    63.00000  120.00000
   65    87    82    63.00000  120.00000
   65    87    88    35.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    79    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    79    82    63.00000  120.00000
   76    79    84    70.00000  120.00000
   79    76    77    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    87    63.00000  120.00000
   79    84    85    35.00000  113.00000
   82    87    88    35.00000  120.00000
   87    65    69    63.00000  120.00000
   87    82    83    35.00000  120.00000
   84    79    82    70.00000  120.00000
   62    55    56    35.00000  109.50000
   62    55    59    80.00000  109.70000
   62    66    67    80.00000  122.90000
   62    66    71    70.00000  116.60000
   66    62    63    35.00000  119.80000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   71    66    67    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.43900  1.0 1.0
   33    39    41    45   0.49100 -1.0 2.0
   33    39    41    45   0.28400  1.0 3.0
   33    39    54    47   0.06250  1.0 1.0
   33    39    54    47  -0.01100 -1.0 2.0
   33    39    54    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    51  -0.43950  1.0 1.0
   39    41    45    51  -0.08100 -1.0 2.0
   39    41    45    51   0.03350  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    54    47   0.37050  1.0 3.0
   41    39   -54    47   0.06250  1.0 1.0
   41    39   -54    47  -0.01100 -1.0 2.0
   41    39   -54    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53  -0.64600  1.0 1.0
   41    43    47    53   0.58400 -1.0 2.0
   41    43   -47    54   0.62750  1.0 1.0
   41    43   -47    54  -0.30950 -1.0 2.0
   41    43   -47    54   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   3.04450 -1.0 2.0
   41    45    51    55   1.15000  1.0 1.0
   41    45    51    55   3.04450 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    51   0.00000  1.0 1.0
   43    41    45    46   0.00000  1.0 1.0
   43    41    45    51  -0.43950  1.0 1.0
   43    41    45    51  -0.08100 -1.0 2.0
   43    41    45    51   0.03350  1.0 3.0
   43    47    53    57   1.10250  1.0 1.0
   43    47    53    57   0.01650 -1.0 2.0
   43    47    53    57   0.39100  1.0 3.0
   43    47    53    75   1.10250  1.0 1.0
   43    47    53    75   0.01650 -1.0 2.0
   43    47    53    75   0.39100  1.0 3.0
   43    47   -54    39   0.06250  1.0 1.0
   43    47   -54    39  -0.01100 -1.0 2.0
   43    47   -54    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    53    57    58   3.62500 -1.0 2.0
   47    53    57    64   3.62500 -1.0 2.0
   47    53    75    68   0.81400  1.0 1.0
   47    53    75    68   1.55550 -1.0 2.0
   47    53    75    78   3.62500 -1.0 2.0
   48    47    53    57   0.00000  1.0 1.0
   48    47    53    75   0.00000  1.0 1.0
   48    47    54    39   0.37050  1.0 3.0
   53    47    54    39  -2.37750  1.0 1.0
   53    47    54    39  -0.08150 -1.0 2.0
   53    47    54    39   0.59000  1.0 3.0
   53    57   -64    68   3.62500 -1.0 2.0
   53    75    78    80   3.62500 -1.0 2.0
   57    53   -75    68   0.70250  1.0 1.0
   57    53   -75    68   1.56150 -1.0 2.0
   57    53    75    78   3.62500 -1.0 2.0
   57    64   -68    75   3.62500 -1.0 2.0
   57    64    68    89   3.62500 -1.0 2.0
   58    57    64    68   3.62500 -1.0 2.0
   64    68   -75    53   3.62500 -1.0 2.0
   64    68    75    78   3.62500 -1.0 2.0
   64    68    89    86   3.62500 -1.0 2.0
   64    68    89    90   3.62500 -1.0 2.0
   68    75    78    80   3.62500 -1.0 2.0
   68    89    90    91   0.70000 -1.0 2.0
   68    89    90    92   0.70000 -1.0 2.0
   75    53    57    58   3.62500 -1.0 2.0
   75    53   -57    64   3.62500 -1.0 2.0
   75    68    89    86   3.62500 -1.0 2.0
   75    68    89    90   3.62500 -1.0 2.0
   75    78    80    81   3.62500 -1.0 2.0
   75    78   -80    86   3.62500 -1.0 2.0
   78    80    86    89   3.62500 -1.0 2.0
   80    86   -89    68   3.62500 -1.0 2.0
   80    86    89    90   3.62500 -1.0 2.0
   81    80    86    89   3.62500 -1.0 2.0
   86    89    90    91   0.70000 -1.0 2.0
   86    89    90    92   0.70000 -1.0 2.0
   89    68    75    53   3.00000 -1.0 2.0
   89    68   -75    78   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.12100  1.0 1.0
   54    39    41    45  -0.16500 -1.0 2.0
   54    47    53    57   0.10350  1.0 1.0
   54    47    53    57  -0.15350 -1.0 2.0
   54    47    53    75   0.10350  1.0 1.0
   54    47    53    75  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    53   2.76900  1.0 1.0
   49    43    47    53  -0.24350 -1.0 2.0
   49    43    47    53  -0.78250  1.0 3.0
   49    43    47    54   3.69350  1.0 1.0
   49    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    47  -0.27100  1.0 1.0
   45    41    43    47  -0.01700 -1.0 2.0
   45    41    43    47  -0.48600  1.0 3.0
   45    41    43    49   2.76900  1.0 1.0
   45    41    43    49  -0.24350 -1.0 2.0
   45    41    43    49  -0.78250  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.93250  1.0 1.0
   45    51    55    59   0.04450 -1.0 2.0
   45    51    55    59   0.17550  1.0 3.0
   45    51    55    62   0.37150  1.0 1.0
   45    51    55    62   1.25400 -1.0 2.0
   45    51    55    62  -0.40250  1.0 3.0
   46    45    51    52   2.45000 -1.0 2.0
   46    45    51    55   2.45000 -1.0 2.0
   51    55    59    60  -0.03800  1.0 3.0
   51    55    59    61  -0.03800  1.0 3.0
   51    55    59    65  -0.84850  1.0 1.0
   51    55    59    65  -0.22800 -1.0 2.0
   51    55    59    65   0.29250  1.0 3.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    66  -0.29800  1.0 1.0
   51    55    62    66   0.13950 -1.0 2.0
   51    55    62    66  -2.45650  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   55    59    65    69   0.00000  1.0 1.0
   55    59    65    87   0.00000  1.0 1.0
   55    62    66    67   3.04450 -1.0 2.0
   55    62    66    71   1.15000  1.0 1.0
   55    62    66    71   3.04450 -1.0 2.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    65   0.23100  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    66   0.00000  1.0 1.0
   59    55    62    63   0.00000  1.0 1.0
   59    55    62    66   0.25950  1.0 1.0
   59    55    62    66   0.43850 -1.0 2.0
   59    55    62    66   2.61650  1.0 3.0
   59    65    69    70   3.62500 -1.0 2.0
   59    65    69    76   3.62500 -1.0 2.0
   59    65    87    82   3.62500 -1.0 2.0
   59    65    87    88   3.62500 -1.0 2.0
   60    59    65    69   0.00000  1.0 1.0
   60    59    65    87   0.00000  1.0 1.0
   61    59    65    69   0.00000  1.0 1.0
   61    59    65    87   0.00000  1.0 1.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    79   3.62500 -1.0 2.0
   69    65    87    82   3.62500 -1.0 2.0
   69    65    87    88   3.62500 -1.0 2.0
   69    76   -79    82   3.62500 -1.0 2.0
   69    76    79    84   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    79   3.62500 -1.0 2.0
   76    79    82    83   3.62500 -1.0 2.0
   76    79    82    87   3.62500 -1.0 2.0
   76    79    84    85   0.84100 -1.0 2.0
   77    76    79    82   3.62500 -1.0 2.0
   77    76    79    84   3.62500 -1.0 2.0
   79    82   -87    65   3.62500 -1.0 2.0
   79    82    87    88   3.62500 -1.0 2.0
   82    79    84    85   0.84100 -1.0 2.0
   83    82    87    65   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   87    65    69    70   3.62500 -1.0 2.0
   87    65   -69    76   3.62500 -1.0 2.0
   84    79    82    83   3.62500 -1.0 2.0
   84    79    82    87   3.62500 -1.0 2.0
   62    55    59    60   0.23200  1.0 3.0
   62    55    59    61   0.23200  1.0 3.0
   62    55    59    65   0.42250  1.0 1.0
   62    55    59    65  -0.48100 -1.0 2.0
   62    55    59    65   0.35650  1.0 3.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   0.00000  1.0 1.0
   62    66    71    74   0.00000  1.0 1.0
   63    62    66    67   2.45000 -1.0 2.0
   63    62    66    71   2.45000 -1.0 2.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    74   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   57    75    53    47   4.00000 -1.0 2.0
   64    58    57    53   1.10000 -1.0 2.0
   75    89    68    64   4.00000 -1.0 2.0
   68    78    75    53   4.00000 -1.0 2.0
   86    81    80    78   1.10000 -1.0 2.0
   86    90    89    68   4.00000 -1.0 2.0
   92    89    90    91   1.00000 -1.0 2.0
   46    51    45    41   1.00000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
   69    87    65    59   4.00000 -1.0 2.0
   76    70    69    65   1.10000 -1.0 2.0
   79    77    76    69   1.10000 -1.0 2.0
   82    84    79    76   4.00000 -1.0 2.0
   87    83    82    79   1.10000 -1.0 2.0
   82    88    87    65   1.10000 -1.0 2.0
   63    66    62    55   1.00000 -1.0 2.0
   62    71    66    67  10.50000 -1.0 2.0
END
