* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    240     450
    1     0 S   NP   _N1_     1    29.40896    99.58973   -21.81120
    2     1 S   H    _HN1     2     1.03454   141.08694   164.63649
    3     1 S   H    _H1_     3     1.02874    78.78661   -90.54872
    4     1 S   H    _H2_     4     1.02766    37.67713   130.60324
    5     1 S   CT   _CA1     5     1.49988    99.97277    18.95170
    6     5 S   HC   _HA1     6     1.09582   105.16923    97.49780
    7     5 S   CO3  _C1_     7     1.53738   112.54748   -22.81575
    8     7 S   O2Z  _O11     8     1.26373   115.08812   -43.83226
    9     7 S   O2Z  _O12     9     1.26251   114.93234   135.28709
   10     5 S   CT   _CB1    10     1.53022   107.49092  -144.57430
   11    10 S   HC   HB11    11     1.09686   109.42945   -49.31128
   12    10 S   HC   HB12    12     1.09829   110.53763    66.83538
   13    10 S   CT   _CG1    13     1.52992   112.76013  -170.94442
   14    13 S   HC   HG11    14     1.09544   111.23678   -69.29373
   15    13 S   HC   HG12    15     1.09637   110.70430    49.90672
   16    13 S   C    _CD1    16     1.51444   109.93986   170.91559
   17    16 S   O    _OE1    17     1.22822   121.89113    90.68118
   18    16 S   N    _N2_    18     1.38377   112.75333   -87.31083
   19    18 S   H    _HN2    19     1.01449   119.09157     0.88647
   20    18 S   CT1  _CA2    20     1.45905   123.04020   175.15176
   21    20 S   HC   _HA2    21     1.09681   109.07290    23.89917
   22    20 S   C    _C2_    22     1.53318   106.29458   -92.66774
   23    22 S   O    _O2_    23     1.23041   122.98552    -8.42604
   24    20 S   CT   _CB2    32     1.53823   112.61245   146.99726
   25    24 S   HC   HB21    33     1.09533   109.92817    68.78105
   26    24 S   HC   HB22    34     1.09294   109.11525  -173.07122
   27    22 S   N    _N3_    24     1.38595   113.10517   173.21201
   28    27 S   H    _HN3    25     1.01483   120.09582    -3.82131
   29    24 S   S    _SG2    35     1.82407   111.91284   -51.35927
   30    27 S   CT   _CA3    26     1.45461   122.16297   172.68667
   31    30 S   HC   HA31    27     1.09547   109.36902    36.35753
   32    30 S   HC   HA32    28     1.09491   107.12513   153.32199
   33    29 S   CT   _C5_    36     1.87053   103.18605  -156.73653
   34    30 S   CO3  _C3_    29     1.53112   112.38450   -84.86389
   35    34 S   O2Z  _O31    30     1.26485   115.40676    64.83529
   36    34 S   O2Z  _O32    31     1.26313   115.00155  -115.10920
   37    33 S   CT   _C4_    37     1.56057   113.64357   -41.99641
   38    37 S   HC   _H6_    38     1.09499   110.88718    64.14322
   39    37 S   HC   _H7_    39     1.09703   109.73972  -179.80820
   40    33 S   CT   _C17    76     1.55291   106.95223    77.07223
   41    40 S   HC   _H19    77     1.09530   111.95029    52.54038
   42    40 S   HC   _H20    78     1.09686   110.58911   -67.93668
   43    37 S   S    _S1_    40     1.82196   116.78284   -58.86362
   44    40 S   OS   _O40    79     1.44150   109.99406   172.85444
   45    43 S   C4T  _C7_    41     1.83532    98.44169   -52.92938
   46    45 S   HC   _H4_    42     1.09448   114.32724   -86.63823
   47    44 S   CO4  _C18    80     1.36118   115.94277   178.33164
   48    47 S   O    _O41    81     1.22507   125.57094    -1.08930
   49    45 S   C4T  _C8_    43     1.57832   114.30493   137.64589
   50    45 S   N4   _N4_    46     1.45601   110.46416    41.42743
   51    47 S   N    _N7_    82     1.36854   110.19269   179.00968
   52    51 S   H    _H21    83     1.01322   121.00929  -179.84298
   53    51 S   H    _H22    84     1.01326   121.04972    -0.50397
   54    49 S   C4   _C9_    44     1.56604    84.03373  -104.25639
   55    54 S   O    _O33    45     1.20977   136.57515   171.97620
   56    33 S   CT1  _C6_    47     1.56460   109.48610  -162.27591
   57    56 S   HC   _H3_    48     1.10168   105.93143   178.67603
   58    49 S   N    _N5_    52     1.48494   114.13692     9.99893
   59    58 S   H    _H8_    53     1.01695   117.87320    24.32045
   60    49 S   OH   _O37    74     1.44383   114.66753   143.73230
   61    60 S   HO   _H18    75     0.97158   104.43950   -83.03291
   62    56 S   CO3  _C16    49     1.55073   122.18766   -65.42158
   63    62 S   O2Z  _O39    50     1.26028   116.88323    12.23838
   64    62 S   O2Z  _O38    51     1.26702   114.28981  -166.76798
   65    58 S   C    _C10    54     1.38359   124.48547  -153.10013
   66    65 S   O    _O34    55     1.22732   125.38175    -5.43898
   67    65 S   CT   _C11    56     1.51676   112.69028   174.71973
   68    67 S   HC   _H9_    57     1.09612   108.20133   171.33263
   69    67 S   HC   _H10    58     1.09634   108.61927    55.02115
   70    67 S   CT   _C12    59     1.53020   111.55811   -67.11804
   71    70 S   HC   _H11    60     1.09453   109.84818    59.78904
   72    70 S   HC   _H12    61     1.09717   109.36622   -56.71392
   73    70 S   CT   _C13    62     1.53234   111.41041  -178.10019
   74    73 S   HC   _H13    63     1.09803   108.17596    59.24372
   75    73 S   HC   _H14    64     1.09803   109.63301   -56.17797
   76    73 S   CT   _C14    65     1.53325   112.83052  -179.07275
   77    76 S   HC   _H5_    66     1.09357   110.59584   -43.51022
   78    76 S   CO3  _C15    67     1.53634   107.37630  -162.77075
   79    78 S   O2Z  _O36    68     1.26456   114.87418    87.28693
   80    78 S   O2Z  _O35    69     1.26307   115.28782   -92.54569
   81    76 S   NP   _N6_    70     1.49506   109.64629    72.82304
   82    81 S   H    _H15    71     1.02635   113.54043   -54.96543
   83    81 S   H    _H16    72     1.03418   111.40953  -174.74917
   84    81 S   H    _H17    73     1.02892   110.92591    67.24868
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   6  13   6   4   3
  11   9   2   1   1   9   3   4   3   9   4   2   1   2   1   1
   8   4   9   5   4   9   5   4  11   5   4   8   7   6   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    56    57    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    50    56    57    62    63    64    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    50    56    57    62    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    51    43    50    56    57    62  
   42    44    47    56  
   44    47    56  
   45    46    49    54    50    56    58    60  
   47    48    51    52    53    56  
   46    49    54    55    50    56    57    62    58    59    65    60    61  
   49    54    50    56    58    60  
   48    51    52    53  
   51    52    53  
   54    55    50    56    58    59    65    66    67    60    61  
   56    57    62    63    64    58    60    54    55  
   52    53  
   53  
    0  
   55    56    57    62    58    59    65    60    61  
   56    58    60  
   57    62    63    64  
   62    63    64  
   59    65    66    67    68    69    70    60    61  
   65    66    67    60  
   61    65  
    0  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    78    81  
   76    77    78    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.309900   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.1200   0.1700  -0.641400   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   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   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    50   305.000  1.456
   49    54   250.000  1.540
   49    58   337.000  1.449
   49    60   375.000  1.409
   54    55   930.000  1.212
   54    50   440.000  1.369
   50    56   337.000  1.449
   56    57   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.522
   76    81   367.000  1.471
   78    79   656.000  1.250
   78    80   656.000  1.250
   81    82   434.000  1.010
   81    83   434.000  1.010
   81    84   434.000  1.010
   60    61   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    51   435.000  1.380
   51    52   434.000  1.010
   51    53   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    50    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    49    60    75.00000  115.88000
   45    50    54   100.00000   93.00000
   45    50    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    50    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    65    50.00000  121.90000
   49    60    61    65.00000  107.00000
   54    50    56    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    49   105.00000   87.49700
   50    54    55    75.00000  131.60000
   50    56    57    35.00000  109.50000
   50    56    62    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   62    56    57    35.00000  109.50000
   64    62    63    80.00000  126.00000
   58    49    54    75.00000  110.24000
   58    65    66    80.00000  122.90000
   58    65    67    70.00000  116.60000
   65    58    59    35.00000  119.80000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    63.00000  111.10000
   67    65    66    80.00000  120.40000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    70.00000  109.69300
   73    76    81    80.00000  111.20000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    78    79    70.00000  117.00000
   76    78    80    70.00000  117.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   78    76    77    35.00000  109.50000
   80    78    79    80.00000  126.00000
   81    76    77    35.00000  109.50000
   81    76    78    80.00000  109.26000
   83    81    82    35.00000  109.50000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   60    49    54    95.00000  109.52300
   60    49    58    95.00000  111.01700
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    51   110.00000  108.75700
   47    51    52    50.00000  116.34900
   47    51    53    50.00000  116.34900
   51    47    48    85.00000  125.96000
   53    51    52    35.00000  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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    50   0.71400  1.0 1.0
   29    33    56    50   0.04300 -1.0 2.0
   29    33    56    50   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62  -2.17200  1.0 1.0
   29    33    56    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    62    63   0.00000  1.0 1.0
   33    56    62    64   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    56    50   0.42250  1.0 1.0
   37    33    56    50  -0.48100 -1.0 2.0
   37    33    56    50   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62  -0.84850  1.0 1.0
   37    33    56    62  -0.22800 -1.0 2.0
   37    33    56    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45    49    60   0.00000  1.0 1.0
   43    45   -50    54   0.00000  1.0 1.0
   43    45    50    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    50   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    65  -0.43950  1.0 1.0
   45    49    58    65  -0.08100 -1.0 2.0
   45    49    58    65   0.03350  1.0 3.0
   45    49    60    61  -0.32000  1.0 1.0
   45    49    60    61  -0.87650 -1.0 2.0
   45    49    60    61   0.09100  1.0 3.0
   45    50   -56    33   0.00000  1.0 1.0
   45    50    56    57   0.00000  1.0 1.0
   45    50    56    62   0.00000  1.0 1.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45    49    60   0.00000  1.0 1.0
   46    45   -50    54   0.00000  1.0 1.0
   46    45    50    56   0.00000  1.0 1.0
   49    45   -50    54   0.00000  1.0 1.0
   49    45    50    56   0.00000  1.0 1.0
   49    54   -50    45   3.00000 -1.0 2.0
   49    54   -50    56   3.00000 -1.0 2.0
   49    58    65    66   3.04450 -1.0 2.0
   49    58    65    67   1.49850  1.0 1.0
   49    58    65    67   1.53950 -1.0 2.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    65  -0.42300  1.0 1.0
   54    49    58    65  -0.07000 -1.0 2.0
   54    49    58    65   0.04150  1.0 3.0
   54    49    60    61   0.91850  1.0 1.0
   54    49    60    61   0.57950  1.0 3.0
   54    50    56    33   0.00000  1.0 1.0
   54    50    56    57   0.00000  1.0 1.0
   54    50    56    62   0.00000  1.0 1.0
   55    54   -50    45   3.00000 -1.0 2.0
   55    54    50    56   3.00000 -1.0 2.0
   50    45   -49    54   3.00000 -1.0 2.0
   50    45    49    58   2.20050  1.0 1.0
   50    45    49    58   0.63450 -1.0 2.0
   50    45    49    58  -0.91300  1.0 3.0
   50    45    49    60   2.76900  1.0 1.0
   50    45    49    60  -0.24350 -1.0 2.0
   50    45    49    60  -0.78250  1.0 3.0
   50    56    62    63   0.00000  1.0 1.0
   50    56    62    64   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.62750  1.0 1.0
   56    33    40    44  -0.30950 -1.0 2.0
   56    33    40    44   0.27300  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    50   0.00000  1.0 1.0
   58    49    60    61   0.09550  1.0 1.0
   58    49    60    61   0.17350 -1.0 2.0
   58    49    60    61  -0.55000  1.0 3.0
   58    65    67    68   0.00000  1.0 1.0
   58    65    67    69   0.00000  1.0 1.0
   58    65    67    70   1.39750  1.0 1.0
   58    65    67    70  -0.07950 -1.0 2.0
   58    65    67    70  -0.18750  1.0 3.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    67   2.45000 -1.0 2.0
   65    67    70    71  -0.11250  1.0 3.0
   65    67    70    72  -0.11250  1.0 3.0
   65    67    70    73  -0.95700  1.0 1.0
   65    67    70    73  -0.18200 -1.0 2.0
   65    67    70    73   0.29450  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78  -1.63150  1.0 1.0
   70    73    76    78  -0.43550 -1.0 2.0
   70    73    76    78   0.24500  1.0 3.0
   70    73    76    81   1.36600  1.0 1.0
   70    73    76    81  -0.11450 -1.0 2.0
   70    73    76    81   0.24250  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    78    79   0.41150 -1.0 2.0
   73    76    78    80   0.41150 -1.0 2.0
   73    76    81    82   0.17350  1.0 3.0
   73    76    81    83   0.17350  1.0 3.0
   73    76    81    84   0.17350  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78  -0.11250  1.0 3.0
   74    73    76    81   0.19200  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78  -0.11250  1.0 3.0
   75    73    76    81   0.19200  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    81    82   0.13050  1.0 3.0
   77    76    81    83   0.13050  1.0 3.0
   77    76    81    84   0.13050  1.0 3.0
   78    76    81    82   0.17350  1.0 3.0
   78    76    81    83   0.17350  1.0 3.0
   78    76    81    84   0.17350  1.0 3.0
   81    76    78    79   0.30150 -1.0 2.0
   81    76    78    80   0.30150 -1.0 2.0
   60    49    54    55   0.30150 -1.0 2.0
   60    49   -54    50   0.00000  1.0 1.0
   60    49    58    59   0.00000  1.0 1.0
   60    49    58    65  -5.15550  1.0 1.0
   60    49    58    65  -0.87850 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    50   0.42250  1.0 1.0
   40    33    56    50  -0.48100 -1.0 2.0
   40    33    56    50   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    62  -0.84850  1.0 1.0
   40    33    56    62  -0.22800 -1.0 2.0
   40    33    56    62   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    51  -0.80800  1.0 1.0
   40    44    47    51   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    51    52   2.56700 -1.0 2.0
   44    47    51    53   2.56700 -1.0 2.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    53   2.45000 -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
   49    50    54    55  10.50000 -1.0 2.0
   56    54    50    45   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   59    65    58    49   1.00000 -1.0 2.0
   58    67    65    66  10.50000 -1.0 2.0
   79    76    78    80  10.50000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   53    47    51    52   1.00000 -1.0 2.0
END
