* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    245     461
    1     0 S   NP   _N1_     1    28.94789    95.85249   -25.43026
    2     1 S   H    _HN1     2     1.02792   118.26223   -98.10019
    3     1 S   H    _H1_     3     1.02948    74.39369     4.68943
    4     1 S   H    _H2_     4     1.02828    32.71071  -177.03859
    5     1 S   CT   _CA1     5     1.50119   124.55287   109.01606
    6     5 S   HC   _HA1     6     1.09574   105.17012    93.01576
    7     5 S   CO3  _C1_     7     1.53767   112.46596   -27.19673
    8     7 S   O2Z  _O11     8     1.26374   115.00867   -42.68204
    9     7 S   O2Z  _O12     9     1.26236   114.93718   136.36665
   10     5 S   CT   _CB1    10     1.53064   107.40995  -149.02146
   11    10 S   HC   HB11    11     1.09840   109.31992   -49.55855
   12    10 S   HC   HB12    12     1.09811   110.47746    67.02870
   13    10 S   CT   _CG1    13     1.53018   112.64353  -170.50744
   14    13 S   HC   HG11    14     1.09572   110.71466   -67.21483
   15    13 S   HC   HG12    15     1.09670   109.71377    52.03631
   16    13 S   C    _CD1    16     1.51812   112.02762   172.50051
   17    16 S   O    _OE1    17     1.22753   123.19856    11.41798
   18    16 S   N    _N2_    18     1.38651   111.81527  -168.61203
   19    18 S   H    _HN2    19     1.01579   118.97855     1.12883
   20    18 S   CT1  _CA2    20     1.46209   123.34931   176.48052
   21    20 S   HC   _HA2    21     1.09739   109.29288     6.40184
   22    20 S   C    _C2_    22     1.53649   108.80958  -109.07838
   23    22 S   O    _O2_    23     1.23077   122.23102  -148.81618
   24    20 S   CT   _CB2    32     1.53324   111.66301   128.39337
   25    24 S   HC   HB21    33     1.09528   110.02308    56.80091
   26    24 S   HC   HB22    34     1.09521   110.07905   175.82308
   27    22 S   N    _N3_    24     1.38312   113.84120    38.67632
   28    27 S   H    _HN3    25     1.01553   119.61247    -3.22889
   29    24 S   S    _SG2    35     1.82750   111.51598   -64.43725
   30    27 S   CT   _CA3    26     1.45287   123.29099   177.19949
   31    30 S   HC   HA31    27     1.09548   107.50574   -64.93447
   32    30 S   HC   HA32    28     1.09556   108.00640    51.52973
   33    29 S   CT   _C13    36     1.83169    99.57840  -176.16028
   34    33 S   HC   _H3_    37     1.09562   108.54360    43.76574
   35    30 S   CO3  _C3_    29     1.52981   114.03051   173.52601
   36    35 S   O2Z  _O31    30     1.26385   116.06725    -0.66146
   37    35 S   O2Z  _O32    31     1.26423   114.42264   179.40127
   38    33 S   CM   _C4_    38     1.49027   109.11455   -77.09058
   39    38 S   HC   _H28    39     1.08337   122.60996    69.68746
   40    38 S   CMA  _C5_    40     1.34237   114.35965  -108.71750
   41    40 S   OM   _O21    41     1.25899   132.48189   177.33876
   42    40 S   CT   _C19    42     1.55863   110.53234    -1.71166
   43    33 S   CT   _C17    43     1.55497   117.43940   167.58613
   44    43 S   HC   _H36    44     1.10138   104.10754  -151.57111
   45    42 S   CT   _C18    60     1.57191   111.71509  -130.52227
   46    45 S   HC   _H37    61     1.09764   108.02149   -62.37505
   47    42 S   CT   _C23    80     1.54511   108.38608   106.20075
   48    47 S   HC   _H47    81     1.09094   113.07349  -175.07455
   49    47 S   HC   _H48    82     1.09646   111.10124    65.16031
   50    47 S   HC   _H49    83     1.09526   111.77331   -54.18415
   51    43 S   CT   _C15    45     1.53718   115.87302   -36.16220
   52    51 S   HC   _H34    46     1.09641   109.38520    54.56295
   53    45 S   OS   _O26    62     1.46456   107.24385    53.40650
   54    51 S   CO4  _C8_    47     1.51867   114.47708   171.73556
   55    54 S   O    _O23    48     1.23596   118.82085  -148.32949
   56    53 S   CO4  _C12    63     1.35920   118.63375  -142.45988
   57    56 S   O    _O24    64     1.22217   126.22406    -3.90936
   58    51 S   CT   _C22    76     1.53152   111.91352   -65.45514
   59    58 S   HC   _H44    77     1.09569   111.22850   -60.63755
   60    58 S   HC   _H45    78     1.09587   110.82758  -179.81655
   61    58 S   HC   _H46    79     1.09361   111.80888    60.17622
   62    54 S   CT   _C16    49     1.52675   119.50336    35.66861
   63    62 S   HC   _H35    50     1.09422   109.70095    50.25223
   64    56 S   CM   _C11    65     1.49475   109.04982   176.98319
   65    62 S   CT   _C14    51     1.51934   117.58596   -80.11700
   66    65 S   HC   _H33    52     1.10320   104.92239   175.24795
   67    64 S   CM   _C10    66     1.34612   115.98543   159.74614
   68    67 S   HC   _H31    67     1.08936   119.28467    -0.38664
   69    64 S   CT   _C21    72     1.50021   117.99628   -21.76691
   70    69 S   HC   _H41    73     1.09552   110.45143   -46.51199
   71    69 S   HC   _H42    74     1.09490   110.42832    73.50265
   72    69 S   HC   _H43    75     1.09249   113.06497  -165.49154
   73    65 S   CM   _C6_    53     1.49191    99.99185   -78.27552
   74    67 S   CT   _C20    68     1.49553   127.35261  -179.36789
   75    74 S   HC   _H38    69     1.09426   109.81175  -113.69342
   76    74 S   HC   _H39    70     1.09493   109.41699   127.85300
   77    74 S   HC   _H40    71     1.09168   113.71456     7.95011
   78    73 S   CO4  _C7_    54     1.48372   106.50981   -30.42300
   79    78 S   O    _O22    55     1.21696   127.32358  -165.72441
   80    73 S   CM   _C9_    57     1.33463   131.54084   149.96896
   81    80 S   HC   _H29    58     1.08424   121.44291     0.11364
   82    80 S   HC   _H30    59     1.08530   121.47906   179.90721
   83    62 S   OS   _O25    56     1.44950   105.34401   166.17217
  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
  14   7   2   1   1   9   4  13   4  18  18   6  19   7   6   2
   1   1  11   7   9  12   5  10   3   4   2   1   1   8   5  10
   8   4   9   5   4   2   1   1   6   3   2   1   1   5   2   3
   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    65    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    65    66    73    45    46    53    56    58    47    48    49    50  
   44    51    52    54    55    62    65    45    46    53    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    56    57    64    47    48    49    50    51    54    62    63    65    66    73    78    80    83  
   53    56    47    62    65    66    73  
   48    49    50    51    53    65  
   49    50  
   50  
    0  
   52    54    55    62    63    65    83    58    59    60    61  
   54    55    62    58    59    60    61  
   56    57    64    67    69    62    65    66    73  
   55    62    63    65    66    73    78    83    58    59    60    61  
   62    63    65    83    58  
   57    64    67    68    74    69    70    71    72    65  
   64    67    69  
   59    60    61    62  
   60    61  
   61  
    0  
   63    65    66    73    78    79    83    80  
   65    66    73    78    83  
   67    68    74    75    76    77    69    70    71    72  
   66    73    78    79    83    80    81    82  
   73    78    83    80  
   68    74    75    76    77    69    70    71    72  
   74    75    76    77    69  
   70    71    72    74  
   71    72  
   72  
    0  
   78    79    83    80    81    82  
   75    76    77  
   76    77  
   77  
    0  
   79    83    80    81    82  
   83    80  
   81    82    83  
   82  
    0  
    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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   317.000  1.522
   51    58   268.000  1.529
   54    55   570.000  1.229
   54    62   317.000  1.522
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    83   320.000  1.410
   65    66   340.000  1.090
   65    73   317.000  1.510
   65    45   268.000  1.529
   73    78   320.000  1.462
   73    80   549.000  1.340
   78    79   570.000  1.229
   78    83   214.000  1.327
   80    81   340.000  1.080
   80    82   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    56   214.000  1.327
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    67   549.000  1.340
   64    69   317.000  1.510
   67    68   340.000  1.080
   67    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    65    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    62    70.00000  116.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    65    63.00000  111.10000
   54    62    83    90.00000  108.74100
   62    54    55    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    73    70.00000  112.02700
   62    65    45    58.35000  112.70000
   62    83    78    83.00000  116.90000
   65    62    63    37.50000  110.70000
   65    73    78    65.00000  116.34900
   65    73    80    70.00000  124.00000
   65    45    46    37.50000  110.70000
   65    45    53    50.00000  109.50000
   73    65    66    35.00000  109.50000
   73    78    79    80.00000  123.72100
   73    78    83    90.00000  111.29400
   73    80    81    35.00000  120.00000
   73    80    82    35.00000  120.00000
   83    62    63    35.00000  109.50000
   83    62    65    50.00000  109.50000
   83    78    79    83.00000  123.40000
   80    73    78    65.00000  118.96000
   82    80    81    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    65    66    37.50000  110.70000
   45    65    73    70.00000  112.02700
   45    53    56    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    56    57    83.00000  123.40000
   53    56    64    90.00000  111.29400
   56    64    67    65.00000  118.96000
   56    64    69    65.00000  116.34900
   64    56    57    80.00000  123.72100
   64    67    68    35.00000  120.00000
   64    67    74    70.00000  124.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   74    67    68    35.00000  117.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   69    64    67    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    54    63.00000  111.10000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    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
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54  -0.95700  1.0 1.0
   33    43    51    54  -0.18200 -1.0 2.0
   33    43    51    54   0.29450  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    65   0.34400  1.0 1.0
   40    42    45    65   0.09450 -1.0 2.0
   40    42    45    65   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54  -0.95700  1.0 1.0
   42    43    51    54  -0.18200 -1.0 2.0
   42    43    51    54   0.29450  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    56  -0.25900  1.0 1.0
   42    45    53    56  -0.47000 -1.0 2.0
   42    45    53    56   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    65   0.56750  1.0 1.0
   43    42    45    65  -0.07550 -1.0 2.0
   43    42    45    65   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51    54    62   0.60050  1.0 1.0
   43    51    54    62   0.05600 -1.0 2.0
   43    51    54    62   0.26150  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54  -0.11250  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.00000  1.0 1.0
   51    54    62    65   0.60050  1.0 1.0
   51    54    62    65   0.05600 -1.0 2.0
   51    54    62    65   0.26150  1.0 3.0
   51    54    62    83   0.55300  1.0 1.0
   51    54    62    83   1.25850 -1.0 2.0
   51    54    62    83  -0.23600  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    62   0.00000  1.0 1.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59  -0.11250  1.0 3.0
   54    51    58    60  -0.11250  1.0 3.0
   54    51    58    61  -0.11250  1.0 3.0
   54    62    65    66  -0.11250  1.0 3.0
   54    62    65    73  -0.98800  1.0 1.0
   54    62    65    73   0.48800 -1.0 2.0
   54    62    65    73   0.76800  1.0 3.0
   54    62    65    45  -0.95700  1.0 1.0
   54    62    65    45  -0.18200 -1.0 2.0
   54    62    65    45   0.29450  1.0 3.0
   54    62    83    78  -1.80650  1.0 1.0
   54    62    83    78   0.63900 -1.0 2.0
   54    62    83    78   0.03650  1.0 3.0
   55    54    62    63   0.00000  1.0 1.0
   55    54    62    65   0.30150 -1.0 2.0
   55    54    62    83   0.30150 -1.0 2.0
   62    65   -73    78   0.09700  1.0 1.0
   62    65   -73    78   0.15600 -1.0 2.0
   62    65   -73    78  -0.50800  1.0 3.0
   62    65    73    80   0.09850  1.0 1.0
   62    65    73    80   0.15250 -1.0 2.0
   62    65    73    80  -0.50650  1.0 3.0
   62    65    45    42   0.56750  1.0 1.0
   62    65    45    42  -0.07550 -1.0 2.0
   62    65    45    42   0.20000  1.0 3.0
   62    65    45    46   0.15000  1.0 3.0
   62    65    45    53   0.62750  1.0 1.0
   62    65    45    53  -0.30950 -1.0 2.0
   62    65    45    53   0.27300  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    73   0.15000  1.0 3.0
   63    62    65    45   0.15000  1.0 3.0
   63    62    83    78   0.08050  1.0 3.0
   65    62   -83    78  -0.25900  1.0 1.0
   65    62   -83    78  -0.47000 -1.0 2.0
   65    62   -83    78   0.11750  1.0 3.0
   65    73    78    79  -0.64400  1.0 1.0
   65    73    78    79   0.26850 -1.0 2.0
   65    73   -78    83  -0.15000  1.0 1.0
   65    73   -78    83   0.89550 -1.0 2.0
   65    73   -78    83  -0.06900  1.0 3.0
   65    73    80    81   7.00000 -1.0 2.0
   65    73    80    82   7.00000 -1.0 2.0
   65    45    53    56  -0.25900  1.0 1.0
   65    45    53    56  -0.47000 -1.0 2.0
   65    45    53    56   0.11750  1.0 3.0
   66    65    73    78   0.15000  1.0 3.0
   66    65    73    80   0.00000  1.0 1.0
   66    65    45    42   0.15000  1.0 3.0
   66    65    45    46   0.15000  1.0 3.0
   66    65    45    53   0.23400  1.0 3.0
   73    65    45    42   0.34400  1.0 1.0
   73    65    45    42   0.09450 -1.0 2.0
   73    65    45    42   0.11100  1.0 3.0
   73    65    45    46   0.15000  1.0 3.0
   73    65    45    53   0.61850  1.0 1.0
   73    65    45    53  -0.22750 -1.0 2.0
   73    65    45    53   0.15300  1.0 3.0
   73    78   -83    62   2.00000 -1.0 2.0
   78    73    80    81   7.00000 -1.0 2.0
   78    73    80    82   7.00000 -1.0 2.0
   79    78    83    62   3.00000 -1.0 2.0
   83    62    65    66   0.23400  1.0 3.0
   83    62   -65    73   0.61850  1.0 1.0
   83    62   -65    73  -0.22750 -1.0 2.0
   83    62   -65    73   0.15300  1.0 3.0
   83    62    65    45   0.62750  1.0 1.0
   83    62    65    45  -0.30950 -1.0 2.0
   83    62    65    45   0.27300  1.0 3.0
   80    73    78    79   1.00000 -1.0 2.0
   80    73    78    83  -0.56150  1.0 1.0
   80    73    78    83   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    65    73    78   0.09700  1.0 1.0
   45    65    73    78   0.15600 -1.0 2.0
   45    65    73    78  -0.50800  1.0 3.0
   45    65    73    80   0.09850  1.0 1.0
   45    65    73    80   0.15250 -1.0 2.0
   45    65    73    80  -0.50650  1.0 3.0
   45    53    56    57   3.00000 -1.0 2.0
   45    53    56    64   2.00000 -1.0 2.0
   46    45    53    56   0.08050  1.0 3.0
   53    56    64    67  -0.56150  1.0 1.0
   53    56    64    67   2.19150 -1.0 2.0
   53    56    64    69  -0.15000  1.0 1.0
   53    56    64    69   0.89550 -1.0 2.0
   53    56    64    69  -0.06900  1.0 3.0
   56    64    67    68   7.00000 -1.0 2.0
   56    64    67    74   7.00000 -1.0 2.0
   56    64    69    70   0.15000  1.0 3.0
   56    64    69    71   0.15000  1.0 3.0
   56    64    69    72   0.15000  1.0 3.0
   57    56    64    67   1.00000 -1.0 2.0
   57    56    64    69  -0.64400  1.0 1.0
   57    56    64    69   0.26850 -1.0 2.0
   64    67    74    75   0.00000  1.0 1.0
   64    67    74    76   0.00000  1.0 1.0
   64    67    74    77   0.00000  1.0 1.0
   67    64    69    70   0.00000  1.0 1.0
   67    64    69    71   0.00000  1.0 1.0
   67    64    69    72   0.00000  1.0 1.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    76   0.33100  1.0 3.0
   68    67    74    77   0.33100  1.0 3.0
   69    64    67    68   7.00000 -1.0 2.0
   69    64    67    74   7.00000 -1.0 2.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51    54    62   0.60050  1.0 1.0
   58    51    54    62   0.05600 -1.0 2.0
   58    51    54    62   0.26150  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    65   0.56750  1.0 1.0
   47    42    45    65  -0.07550 -1.0 2.0
   47    42    45    65   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   51    62    54    55  10.50000 -1.0 2.0
   65    78    73    80   1.10000 -1.0 2.0
   73    83    78    79  10.50000 -1.0 2.0
   81    82    80    73   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   56    69    64    67  15.00000 -1.0 2.0
   74    68    67    64  15.00000 -1.0 2.0
END
