* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    155    239     453
    1     0 S   NP   _N1_     1    28.68058    95.62936   -24.08672
    2     1 S   H    _HN1     2     1.02949    75.70981    12.59731
    3     1 S   H    _H1_     3     1.02828    33.45570   171.90367
    4     1 S   H    _H2_     4     1.02787   107.82782   -92.44680
    5     1 S   CT   _CA1     5     1.50111   134.30918   117.33188
    6     5 S   HC   _HA1     6     1.09573   105.19438    87.98882
    7     5 S   CO3  _C1_     7     1.53787   112.44839   -32.24642
    8     7 S   O2Z  _O11     8     1.26372   115.01090   -43.09607
    9     7 S   O2Z  _O12     9     1.26239   114.94460   136.02074
   10     5 S   CT   _CB1    10     1.53077   107.41494  -154.04330
   11    10 S   HC   HB11    11     1.09835   109.36836   -49.76109
   12    10 S   HC   HB12    12     1.09812   110.45628    66.84593
   13    10 S   CT   _CG1    13     1.52990   112.60180  -170.73138
   14    13 S   HC   HG11    14     1.09584   110.63976   -65.74126
   15    13 S   HC   HG12    15     1.09672   109.77697    53.48460
   16    13 S   C    _CD1    16     1.51806   112.20602   173.93945
   17    16 S   O    _OE1    17     1.22736   123.27145     7.36026
   18    16 S   N    _N2_    18     1.38625   111.65673  -172.67557
   19    18 S   H    _HN2    19     1.01586   119.02164     1.50220
   20    18 S   CT1  _CA2    20     1.46257   123.49180   177.68134
   21    20 S   HC   _HA2    21     1.09738   109.26701     5.10438
   22    20 S   C    _C2_    22     1.53644   109.13795  -110.41666
   23    22 S   O    _O2_    23     1.23078   122.20983  -152.18934
   24    20 S   CT   _CB2    32     1.53349   111.29972   127.01352
   25    24 S   HC   HB21    33     1.09415   109.53996    55.26285
   26    24 S   HC   HB22    34     1.09491   110.39994   174.49718
   27    22 S   N    _N3_    24     1.38314   113.91417    35.43149
   28    27 S   H    _HN3    25     1.01556   119.56257    -3.58403
   29    24 S   S    _SG2    35     1.82812   111.22865   -65.70028
   30    27 S   CT   _CA3    26     1.45271   123.24345   177.09175
   31    30 S   HC   HA31    27     1.09551   107.54124   -64.13539
   32    30 S   HC   HA32    28     1.09560   107.96155    52.30997
   33    29 S   CT   _C16    36     1.86052    99.94558  -178.95264
   34    33 S   HC   _H3_    37     1.09681   106.25253    37.74896
   35    30 S   CO3  _C3_    29     1.52962   114.06247   174.30360
   36    35 S   O2Z  _O31    30     1.26381   116.08076     0.15702
   37    35 S   O2Z  _O32    31     1.26428   114.41139  -179.80021
   38    33 S   CM   _C6_    38     1.51427   106.31446   -79.82826
   39    38 S   HC   _H27    39     1.08924   115.86073   -73.10850
   40    33 S   CT   _C18    61     1.58275   112.75705   154.15990
   41    38 S   CMA  _C10    40     1.35238   125.71070   108.90042
   42    41 S   OM   _O21    41     1.26233   132.38082    -3.80102
   43    40 S   CT   _C22    62     1.55574   109.29935   -58.78411
   44    43 S   HC   _H43    63     1.09455   112.42116    66.83280
   45    43 S   HC   _H44    64     1.09588   111.04372   -54.27789
   46    43 S   HC   _H45    65     1.09658   111.06301  -173.86486
   47    40 S   CT   _C23    66     1.54617   112.67976    59.78447
   48    47 S   HC   _H46    67     1.09481   111.99263   -61.19533
   49    47 S   HC   _H47    68     1.09606   110.73744  -179.80021
   50    47 S   HC   _H48    69     1.09284   112.48572    59.87005
   51    41 S   CM   _C8_    42     1.46885   116.54819   176.36003
   52    51 S   CM   _C4_    43     1.35115   126.07129  -102.66658
   53    52 S   HC   _H25    44     1.09171   116.29317  -175.48308
   54    51 S   CT   _C19    79     1.51451   114.08023    78.69719
   55    54 S   HC   _H34    80     1.09545   110.82586   -62.76602
   56    54 S   HC   _H35    81     1.09552   112.18178   177.41396
   57    54 S   HC   _H36    82     1.09570   110.74068    57.63333
   58    52 S   CM   _C7_    45     1.44825   131.32145     0.31466
   59    58 S   CM   _C5_    46     1.34385   121.07171  -140.98179
   60    59 S   HC   _H26    47     1.08284   124.37680     3.29283
   61    59 S   CT   _C15    48     1.49608   113.59441  -176.35960
   62    61 S   HC   _H32    49     1.09609   110.02156  -125.60348
   63    61 S   CT   _C14    50     1.53329   102.72755    -8.90914
   64    63 S   HC   _H30    51     1.09672   112.09879   140.27267
   65    63 S   HC   _H31    52     1.09892   109.27109  -102.17690
   66    61 S   CT   _C21    75     1.52316   112.05057   112.93021
   67    66 S   HC   _H40    76     1.09470   112.12087   -56.99078
   68    66 S   HC   _H41    77     1.09514   110.54103  -177.39872
   69    66 S   HC   _H42    78     1.09563   110.71265    63.21481
   70    58 S   CT   _C17    53     1.50393   128.48759    46.86638
   71    70 S   CO4  _C12    54     1.50842   113.69835    64.88671
   72    71 S   O    _O22    55     1.22149   126.61102    47.55031
   73    71 S   CM   _C9_    56     1.46320   109.80706  -133.95985
   74    73 S   CM   _C11    57     1.33524   102.38405     6.22888
   75    73 S   CT   _C20    71     1.47635   123.77536  -173.04639
   76    75 S   HC   _H37    72     1.09422   110.51213   -69.79777
   77    75 S   HC   _H38    73     1.09307   111.98552   169.33251
   78    75 S   HC   _H39    74     1.09484   110.42027    49.93757
   79    74 S   CT   _C13    58     1.50277   127.66545  -179.54846
   80    79 S   HC   _H28    59     1.09932   107.71882    38.39520
   81    79 S   HC   _H29    60     1.09961   107.56381   150.50536
   82    70 S   OS   _O23    70     1.42739   116.07153   -54.44583
  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   9   5   4   3
  19   7   2   1   1  10   4  15   9   3  11   4   3   2   7   3
   2   1   9  13   4   4   2   1   1  14  13   5  11   8  12   5
   4   4   2   1   1   7   9   4   9   8   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    79    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    51    74    79    80    81    40    43    44    45    46    47    48    49    50  
   38    39    41    79    40    43    47  
   36    37  
   37  
    0  
   39    41    42    51    52    79    40    43    47    54  
   41    42    51    40  
   43    44    45    46    47    48    49    50    82    41    73    74    79    80    81  
   42    51    52    53    58    54    55    56    57  
   51    52    54  
   44    45    46    47    48    49    50    74    79    80    81  
   45    46    47    79  
   46    47    79  
   47    79  
   48    49    50    74    79    80    81  
   49    50    79  
   50    79  
   79  
   52    53    58    59    70    54    55    56    57  
   53    58    59    60    61    63    70    71    82    54    55    56    57  
   58    59    70    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    70    71    72    73    74    82    66  
   60    61    62    63    64    65    70    71    82    66    67    68    69  
   61    62    63    70    66  
   62    63    64    65    70    71    82    66    67    68    69  
   63    64    65    70    66    67    68    69  
   64    65    70    71    72    73    74    82    66    67    68    69  
   65    70    71    82    66  
   70    71    82    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    79    82    75  
   72    73    74    79    82    75    76    77    78  
   73    74    82    75  
   74    79    80    81    82    75    76    77    78  
   79    80    81    82    75    76    77    78  
   76    77    78    79    82  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    51   465.000  1.376
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   380.000  1.444
   58    59   549.000  1.340
   58    70   317.000  1.510
   59    60   340.000  1.080
   59    61   317.000  1.510
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   317.000  1.522
   70    82   320.000  1.410
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    75   317.000  1.510
   74    79   317.000  1.510
   74    82   440.000  1.360
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    43   268.000  1.529
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    79    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    51    70.00000  123.01800
   41    38    39    40.00000  120.50800
   41    51    52    70.00000  117.34000
   41    51    54    70.00000  124.00000
   51    41    42    65.00000  137.10300
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  123.01800
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    70.00000  123.01800
   52    58    70    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    61    70.00000  124.00000
   58    70    63    70.00000  112.02700
   58    70    71    70.00000  109.06800
   58    70    82    85.00000  110.90400
   59    61    62    35.00000  109.50000
   59    61    63    70.00000  112.02700
   59    61    66    70.00000  112.02700
   61    59    60    35.00000  117.00000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    70    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    70    71    63.00000  111.10000
   63    70    82    50.00000  109.50000
   65    63    64    33.00000  107.80000
   70    58    59    70.00000  124.00000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    71    72    80.00000  120.40000
   70    71    73    65.00000  118.62400
   70    82    74    90.00000  111.18400
   71    73    74    65.00000  118.96000
   71    73    75    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    79    70.00000  124.00000
   73    74    82    80.00000  120.01400
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    40    70.00000  112.02700
   79    40    43    58.35000  112.70000
   79    40    47    58.35000  112.70000
   81    79    80    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   82    70    71    90.00000  108.74100
   82    74    79    85.00000  112.85300
   75    73    74    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    79   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    79   0.34400  1.0 1.0
   38    33    40    79   0.09450 -1.0 2.0
   38    33    40    79   0.11100  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    41    51    52   7.00000 -1.0 2.0
   38    41    51    54   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   41    51    52    53   7.00000 -1.0 2.0
   41    51    52    58   7.00000 -1.0 2.0
   41    51    54    55   0.00000  1.0 1.0
   41    51    54    56   0.00000  1.0 1.0
   41    51    54    57   0.00000  1.0 1.0
   42    41    51    52   7.00000 -1.0 2.0
   42    41    51    54   7.00000 -1.0 2.0
   51    52    58    59   0.28850  1.0 1.0
   51    52    58    59   2.61350 -1.0 2.0
   51    52    58    59   0.78400  1.0 3.0
   51    52    58    70  -0.18600  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    59    60   7.00000 -1.0 2.0
   52    58    59    61   7.00000 -1.0 2.0
   52    58    70    63   0.98200  1.0 1.0
   52    58    70    63  -0.11900 -1.0 2.0
   52    58    70    63   0.24250  1.0 3.0
   52    58    70    71  -0.51250  1.0 1.0
   52    58    70    71  -0.88800 -1.0 2.0
   52    58    70    71   0.08850  1.0 3.0
   52    58    70    82   0.39000  1.0 1.0
   52    58    70    82  -0.05800 -1.0 2.0
   52    58    70    82  -0.55150  1.0 3.0
   53    52    58    59  -0.18600  1.0 3.0
   53    52    58    70   0.00000  1.0 1.0
   58    59    61    62   0.00000  1.0 1.0
   58    59   -61    63   0.09850  1.0 1.0
   58    59   -61    63   0.15250 -1.0 2.0
   58    59   -61    63  -0.50650  1.0 3.0
   58    59    61    66   0.09850  1.0 1.0
   58    59    61    66   0.15250 -1.0 2.0
   58    59    61    66  -0.50650  1.0 3.0
   58    70    71    72   0.30150 -1.0 2.0
   58    70    71    73   0.65300  1.0 1.0
   58    70    71    73  -0.03850 -1.0 2.0
   58    70    71    73   0.33900  1.0 3.0
   58    70    82    74  -0.48150  1.0 1.0
   58    70    82    74   0.09250 -1.0 2.0
   58    70    82    74  -0.12850  1.0 3.0
   59    58   -70    63   0.09850  1.0 1.0
   59    58   -70    63   0.15250 -1.0 2.0
   59    58   -70    63  -0.50650  1.0 3.0
   59    58    70    71  -0.51250  1.0 1.0
   59    58    70    71  -0.88800 -1.0 2.0
   59    58    70    71   0.08850  1.0 3.0
   59    58    70    82   0.39000  1.0 1.0
   59    58    70    82  -0.05800 -1.0 2.0
   59    58    70    82  -0.55150  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    65   0.15000  1.0 3.0
   59    61   -63    70   0.34400  1.0 1.0
   59    61   -63    70   0.09450 -1.0 2.0
   59    61   -63    70   0.11100  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    69   0.15000  1.0 3.0
   60    59    61    62   0.33100  1.0 3.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    66   0.00000  1.0 1.0
   61    63   -70    58   0.34400  1.0 1.0
   61    63   -70    58   0.09450 -1.0 2.0
   61    63   -70    58   0.11100  1.0 3.0
   61    63    70    71  -0.95700  1.0 1.0
   61    63    70    71  -0.18200 -1.0 2.0
   61    63    70    71   0.29450  1.0 3.0
   61    63    70    82   0.62750  1.0 1.0
   61    63    70    82  -0.30950 -1.0 2.0
   61    63    70    82   0.27300  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    69   0.15000  1.0 3.0
   63    70    71    72   0.30150 -1.0 2.0
   63    70    71    73   0.65300  1.0 1.0
   63    70    71    73  -0.03850 -1.0 2.0
   63    70    71    73   0.33900  1.0 3.0
   63    70    82    74  -0.46850  1.0 1.0
   63    70    82    74   0.09300 -1.0 2.0
   63    70    82    74  -0.12850  1.0 3.0
   64    63    70    58   0.15000  1.0 3.0
   64    63    70    71  -0.11250  1.0 3.0
   64    63    70    82   0.23400  1.0 3.0
   65    63    70    58   0.15000  1.0 3.0
   65    63    70    71  -0.11250  1.0 3.0
   65    63    70    82   0.23400  1.0 3.0
   70    58    59    60   7.00000 -1.0 2.0
   70    58   -59    61   7.00000 -1.0 2.0
   70    71   -73    74  -0.33500  1.0 1.0
   70    71   -73    74   1.06600 -1.0 2.0
   70    71   -73    74  -0.14000  1.0 3.0
   70    71    73    75   0.25700  1.0 1.0
   70    71    73    75   0.66200 -1.0 2.0
   70    71    73    75   0.04450  1.0 3.0
   71    70   -82    74  -0.48150  1.0 1.0
   71    70   -82    74   0.09250 -1.0 2.0
   71    70   -82    74  -0.12850  1.0 3.0
   71    73    74    79   7.00000 -1.0 2.0
   71    73   -74    82   7.00000 -1.0 2.0
   71    73    75    76   0.15000  1.0 3.0
   71    73    75    77   0.15000  1.0 3.0
   71    73    75    78   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    75  -0.64400  1.0 1.0
   72    71    73    75   0.26850 -1.0 2.0
   73    74    79    80   0.00000  1.0 1.0
   73    74    79    81   0.00000  1.0 1.0
   73    74    79    40   0.09850  1.0 1.0
   73    74    79    40   0.15250 -1.0 2.0
   73    74    79    40  -0.50650  1.0 3.0
   73    74   -82    70  -2.26850  1.0 1.0
   73    74   -82    70   3.39050 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   74    79    40    33   0.34400  1.0 1.0
   74    79    40    33   0.09450 -1.0 2.0
   74    79    40    33   0.11100  1.0 3.0
   74    79    40    43   0.34400  1.0 1.0
   74    79    40    43   0.09450 -1.0 2.0
   74    79    40    43   0.11100  1.0 3.0
   74    79    40    47   0.34400  1.0 1.0
   74    79    40    47   0.09450 -1.0 2.0
   74    79    40    47   0.11100  1.0 3.0
   79    74    82    70   2.00000 -1.0 2.0
   79    40    43    44   0.15000  1.0 3.0
   79    40    43    45   0.15000  1.0 3.0
   79    40    43    46   0.15000  1.0 3.0
   79    40    47    48   0.15000  1.0 3.0
   79    40    47    49   0.15000  1.0 3.0
   79    40    47    50   0.15000  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    43   0.15000  1.0 3.0
   80    79    40    47   0.15000  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    43   0.15000  1.0 3.0
   81    79    40    47   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    50   0.15000  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   82    70    71    72   0.30150 -1.0 2.0
   82    70   -71    73   0.65300  1.0 1.0
   82    70   -71    73  -0.03850 -1.0 2.0
   82    70   -71    73   0.33900  1.0 3.0
   82    74    79    80   0.00000  1.0 1.0
   82    74    79    81   0.00000  1.0 1.0
   82    74    79    40   0.09700  1.0 1.0
   82    74    79    40   0.15600 -1.0 2.0
   82    74    79    40  -0.50800  1.0 3.0
   75    73    74    79   7.00000 -1.0 2.0
   75    73    74    82   7.00000 -1.0 2.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   66    61    63    70   0.56750  1.0 1.0
   66    61    63    70  -0.07550 -1.0 2.0
   66    61    63    70   0.20000  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   51    42    41    38   1.10000 -1.0 2.0
   41    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   52    70    58    59   1.10000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    75    73    74   1.10000 -1.0 2.0
   79    82    74    73   1.10000 -1.0 2.0
END
