* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    164    264     482
    1     0 S   NP   _N1_     1    28.77802    96.47936   -21.80849
    2     1 S   H    _HN1     2     1.02829    40.63925   151.23230
    3     1 S   H    _H1_     3     1.02786    97.11921   -99.52145
    4     1 S   H    _H2_     4     1.02949    73.93143     7.59740
    5     1 S   CT   _CA1     5     1.50115   146.04688   110.42057
    6     5 S   HC   _HA1     6     1.09574   105.19243    86.33679
    7     5 S   CO3  _C1_     7     1.53789   112.41540   -33.88296
    8     7 S   O2Z  _O11     8     1.26372   115.00646   -43.67097
    9     7 S   O2Z  _O12     9     1.26236   114.93583   135.39552
   10     5 S   CT   _CB1    10     1.53077   107.41250  -155.71833
   11    10 S   HC   HB11    11     1.09833   109.36268   -49.86012
   12    10 S   HC   HB12    12     1.09812   110.46504    66.74713
   13    10 S   CT   _CG1    13     1.52984   112.59541  -170.83653
   14    13 S   HC   HG11    14     1.09589   110.61813   -65.59723
   15    13 S   HC   HG12    15     1.09671   109.79678    53.62301
   16    13 S   C    _CD1    16     1.51812   112.22497   174.05855
   17    16 S   O    _OE1    17     1.22734   123.28795     6.41600
   18    16 S   N    _N2_    18     1.38617   111.63306  -173.60564
   19    18 S   H    _HN2    19     1.01585   118.99318     1.56223
   20    18 S   CT1  _CA2    20     1.46280   123.52452   178.10555
   21    20 S   HC   _HA2    21     1.09738   109.28710     4.17504
   22    20 S   C    _C2_    22     1.53601   109.06177  -111.35659
   23    22 S   O    _O2_    23     1.23069   122.23763  -151.65282
   24    20 S   CT   _CB2    32     1.53374   111.25250   126.08731
   25    24 S   HC   HB21    33     1.09414   109.34859    55.15368
   26    24 S   HC   HB22    34     1.09478   110.44973   174.56888
   27    22 S   N    _N3_    24     1.38320   113.86289    35.98031
   28    27 S   H    _HN3    25     1.01563   119.55546    -3.62574
   29    24 S   S    _SG2    35     1.82640   111.06563   -65.56858
   30    27 S   CT   _CA3    26     1.45273   123.22558   177.04448
   31    30 S   HC   HA31    27     1.09549   107.54015   -63.99516
   32    30 S   HC   HA32    28     1.09557   107.95744    52.44389
   33    29 S   CT   _C22    36     1.86589   100.38851  -178.55436
   34    33 S   HC   _H4_    37     1.09419   105.88600    45.18442
   35    30 S   CO3  _C3_    29     1.52953   114.07481   174.42898
   36    35 S   O2Z  _O31    30     1.26377   116.07952    -0.20174
   37    35 S   O2Z  _O32    31     1.26429   114.41363   179.84423
   38    33 S   CM   _C19    38     1.55214   107.93004   -74.20920
   39    38 S   NA   _N5_    39     1.42477   113.20644   -76.18038
   40    38 S   CMA  _C20    78     1.37366   120.69608   110.49648
   41    40 S   OM   _O33    79     1.27101   124.68128    -8.05445
   42    39 S   C56A _C18    40     1.40413   131.83036   154.73320
   43    39 S   CR3  _C11    51     1.37981   122.19262   -24.88882
   44    40 S   OS   _O34    80     1.41613   112.30410   166.89695
   45    42 S   CA   _C17    41     1.40804   131.44497   -13.85717
   46    45 S   HA   _H19    42     1.08538   121.38716    -2.89015
   47    43 S   CT   _C10    52     1.49748   125.00868    10.09341
   48    47 S   HC   _H3_    53     1.10015   105.41939    97.77133
   49    44 S   CT   _C21    81     1.42674   116.47161   170.63028
   50    49 S   HC   _H20    82     1.09409   107.70557  -176.10328
   51    49 S   HC   _H21    83     1.09485   111.04799    66.01476
   52    49 S   HC   _H22    84     1.09511   111.05598   -58.14742
   53    45 S   CA   _C16    43     1.39782   118.86655   177.18652
   54    53 S   HA   _H18    44     1.08693   119.39041  -179.07550
   55    33 S   CT   _C6_    54     1.58493   113.10604   161.85452
   56    53 S   CA   _C15    45     1.38939   120.91195     0.95797
   57    56 S   HA   _H17    46     1.08652   119.86078  -179.85196
   58    55 S   CT   _C7_    55     1.56072   109.40635  -175.95770
   59    58 S   HC   _H10    56     1.09501   111.04244    67.12287
   60    58 S   HC   _H11    57     1.09645   110.80028   -49.56971
   61    55 S   CT   _C5_    71     1.57195   111.89726   -54.21518
   62    61 S   HC   _H8_    72     1.09663   109.99899    64.21191
   63    61 S   HC   _H9_    73     1.09617   110.16004   178.77603
   64    56 S   CA   _C14    47     1.39687   120.45505     1.70410
   65    64 S   HA   _H16    48     1.08642   119.81728   177.32973
   66    58 S   CT   _C8_    58     1.52736   112.52434  -169.38405
   67    66 S   HC   _H12    59     1.09659   109.16777   175.35236
   68    66 S   HC   _H13    60     1.09556   110.68055   -68.09752
   69    61 S   CT   _C4_    74     1.52480   116.17778   -58.55516
   70    69 S   HC   _H5_    75     1.09289   111.90146   -62.13035
   71    69 S   HC   _H6_    76     1.09544   109.53489   179.17267
   72    69 S   HC   _H7_    77     1.09291   112.04244    60.32188
   73    42 S   C56B _C13    49     1.40588   108.01490   167.87462
   74    66 S   CT   _C9_    61     1.52768   111.22457    54.82940
   75    74 S   HC   _H14    62     1.09680   108.70261    68.17202
   76    74 S   HC   _H15    63     1.09676   108.09444  -176.33152
   77    73 S   C5B  _C12    50     1.41293   107.00113     6.09751
   78    47 S   NT   _N4_    64     1.48721   110.58593  -148.72066
   79    78 S   CT   _C24    65     1.48575   110.46557   -50.03980
   80    79 S   HC   _H25    66     1.09876   107.44937   -63.34398
   81    79 S   HC   _H26    67     1.09714   110.08291  -177.26684
   82    77 S   CT   _C23    68     1.49004   131.74317  -178.06467
   83    82 S   HC   _H23    69     1.09568   110.46893   -47.73633
   84    82 S   HC   _H24    70     1.09677   108.51501    69.93235
  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
  20   7   2   1   1  14  16   9   2  12  15   4   8   4  20   7
   3   2   1   1   6   3  17   5   3  13   6   5   8   5   4   4
   2   7   5   4   3   2   1   1   5   7   3   2   7   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    58    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    48    55    58    59    60    66    78    61    62    63    69    40    41    44  
   38    39    47    55    58    61    40  
   36    37  
   37  
    0  
   39    42    45    73    77    43    47    55    58    61    40    41    44    49  
   42    45    46    53    64    73    77    43    47    48    55    78    82    40    41    44  
   41    44    49    50    51    52    42    43    55  
   44    49  
   45    46    53    54    56    64    65    73    77    43    47    82  
   47    48    55    58    74    78    79    82    83    84    61    45    64    73    77  
   49    50    51    52  
   46    53    54    56    57    64    73    77  
   53    54    56    73  
   48    55    58    59    60    66    74    75    76    78    79    80    81    82    61    62    63    69    73    77  
   55    58    74    78    79    61    77  
   50    51    52  
   51    52  
   52  
    0  
   54    56    57    64    65    73  
   56    57    64  
   58    59    60    66    67    68    74    78    79    61    62    63    69    70    71    72    77  
   57    64    65    73    77  
   64    65    73  
   59    60    66    67    68    74    75    76    78    61    62    63    69  
   60    66    67    68    74    61  
   66    67    68    74    61  
   62    63    69    70    71    72    66    78  
   63    69    70    71    72  
   69    70    71    72  
   65    73    77    82  
   73    77  
   67    68    74    75    76    78    79  
   68    74    75    76    78  
   74    75    76    78  
   70    71    72  
   71    72  
   72  
    0  
   77    79    82    83    84  
   75    76    78    79    80    81    82  
   76    78    79  
   78    79  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   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   0.107500   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  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   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   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   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    55   268.000  1.529
   38    39   370.000  1.395
   38    40   465.000  1.376
   39    42   428.000  1.380
   39    43   483.000  1.339
   42    45   469.000  1.400
   42    73   447.000  1.419
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    73   469.000  1.404
   73    77   380.000  1.440
   77    43   400.000  1.418
   77    82   295.000  1.494
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    78   382.000  1.448
   55    58   268.000  1.529
   55    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   382.000  1.448
   78    79   382.000  1.448
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    55    75.00000  111.63000
   33    38    39    70.00000  115.00000
   33    38    40    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    58    58.35000  112.70000
   33    55    61    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    42    65.00000  124.26000
   38    39    43    70.00000  114.00000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   39    42    45    70.00000  132.80000
   39    42    73    70.00000  104.40000
   39    43    77    75.00000  118.00000
   39    43    47    75.00000  115.74700
   42    45    46    35.00000  120.00000
   42    45    53    85.00000  120.00000
   42    73    64    85.00000  116.20000
   42    73    77    80.00000  107.43600
   45    53    54    35.00000  120.00000
   45    53    56    63.00000  120.00000
   53    45    46    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    64    65    35.00000  120.00000
   56    64    73    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    73    77    50.00000  134.85500
   73    42    45    85.00000  122.70000
   73    64    65    35.00000  120.00000
   73    77    43    75.00000  116.72000
   73    77    82    55.00000  128.73000
   77    43    47    70.00000  120.00000
   77    82    79    70.00000  112.62400
   77    82    83    45.00000  111.11700
   77    82    84    45.00000  111.11700
   43    39    42    70.00000  114.00000
   43    47    48    35.00000  109.50000
   43    47    55    70.00000  112.17500
   43    47    78    75.00000  112.33000
   47    55    58    58.35000  112.70000
   47    55    61    58.35000  112.70000
   47    78    74    51.80000  107.20000
   47    78    79    51.80000  107.20000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    66    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    69    58.35000  112.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    78    56.20000  109.47000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    78    79    51.80000  107.20000
   76    74    75    33.00000  107.80000
   78    47    48    35.00000  109.50000
   78    47    55    56.20000  109.47000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    56.20000  109.47000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    77    43    80.00000  105.07000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   61    55    58    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    75.00000  115.90000
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   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    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    58   0.44750  1.0 1.0
   29    33    55    58  -0.17800 -1.0 2.0
   29    33    55    58   0.20200  1.0 3.0
   29    33    55    61   0.44750  1.0 1.0
   29    33    55    61  -0.17800 -1.0 2.0
   29    33    55    61   0.20200  1.0 3.0
   33    38    39    42   1.50000 -1.0 2.0
   33    38    39    43   1.50000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    55    58    59   0.15000  1.0 3.0
   33    55    58    60   0.15000  1.0 3.0
   33    55    58    66   0.56750  1.0 1.0
   33    55    58    66  -0.07550 -1.0 2.0
   33    55    58    66   0.20000  1.0 3.0
   33    55    61    62   0.15000  1.0 3.0
   33    55    61    63   0.15000  1.0 3.0
   33    55    61    69   0.56750  1.0 1.0
   33    55    61    69  -0.07550 -1.0 2.0
   33    55    61    69   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    58   0.15000  1.0 3.0
   34    33    55    61   0.15000  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    58   0.34400  1.0 1.0
   38    33    55    58   0.09450 -1.0 2.0
   38    33    55    58   0.11100  1.0 3.0
   38    33    55    61   0.34400  1.0 1.0
   38    33    55    61   0.09450 -1.0 2.0
   38    33    55    61   0.11100  1.0 3.0
   38    39    42    45   3.62500 -1.0 2.0
   38    39    42    73   3.62500 -1.0 2.0
   38    39    43    77   3.62500 -1.0 2.0
   38    39   -43    47   3.62500 -1.0 2.0
   38    40    44    49  -2.26850  1.0 1.0
   38    40    44    49   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    53   3.62500 -1.0 2.0
   39    42    73    64   3.00000 -1.0 2.0
   39    42   -73    77   3.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43    47    55   0.39850  1.0 1.0
   39    43    47    55   0.06450 -1.0 2.0
   39    43    47    55   0.32400  1.0 3.0
   39    43    47    78   0.04300 -1.0 2.0
   42    39   -43    77   3.62500 -1.0 2.0
   42    39    43    47   3.62500 -1.0 2.0
   42    45    53    54   3.62500 -1.0 2.0
   42    45    53    56   3.62500 -1.0 2.0
   42    73   -77    43   3.50000 -1.0 2.0
   42    73    77    82   3.62500 -1.0 2.0
   45    42    73    64   3.00000 -1.0 2.0
   45    42    73    77   3.00000 -1.0 2.0
   45    53    56    57   3.62500 -1.0 2.0
   45    53   -56    64   3.62500 -1.0 2.0
   46    45    53    54   3.62500 -1.0 2.0
   46    45    53    56   3.62500 -1.0 2.0
   53    56    64    65   3.62500 -1.0 2.0
   53    56    64    73   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    64   3.62500 -1.0 2.0
   56    64   -73    42   3.50000 -1.0 2.0
   56    64    73    77   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    73   3.62500 -1.0 2.0
   64    73    77    43   3.62500 -1.0 2.0
   64    73    77    82   3.62500 -1.0 2.0
   65    64    73    42   3.50000 -1.0 2.0
   65    64    73    77   3.62500 -1.0 2.0
   73    42    45    46   3.62500 -1.0 2.0
   73    42   -45    53   3.62500 -1.0 2.0
   73    77   -43    39   3.62500 -1.0 2.0
   73    77    43    47   3.62500 -1.0 2.0
   73    77    82    79   0.04150 -1.0 2.0
   73    77    82    83   0.00000  1.0 1.0
   73    77    82    84   0.00000  1.0 1.0
   77    43    47    48   0.00000  1.0 1.0
   77    43    47    55   0.04150 -1.0 2.0
   77    43    47    78   0.18550 -1.0 2.0
   77    43    47    78   0.14000  1.0 3.0
   43    39    42    45   3.62500 -1.0 2.0
   43    39   -42    73   3.62500 -1.0 2.0
   43    77    82    79   0.04150 -1.0 2.0
   43    77    82    83   0.00000  1.0 1.0
   43    77    82    84   0.00000  1.0 1.0
   43    47   -55    33  -0.03700  1.0 1.0
   43    47   -55    33   0.37200 -1.0 2.0
   43    47   -55    33  -0.47300  1.0 3.0
   43    47    55    58  -0.03700  1.0 1.0
   43    47    55    58   0.37200 -1.0 2.0
   43    47    55    58  -0.47300  1.0 3.0
   43    47    55    61  -0.03700  1.0 1.0
   43    47    55    61   0.37200 -1.0 2.0
   43    47    55    61  -0.47300  1.0 3.0
   43    47    78    74   0.82600  1.0 1.0
   43    47    78    74  -0.32100 -1.0 2.0
   43    47    78    74   1.02000  1.0 3.0
   43    47   -78    79   0.82600  1.0 1.0
   43    47   -78    79  -0.32100 -1.0 2.0
   43    47   -78    79   1.02000  1.0 3.0
   47    55    58    59   0.15000  1.0 3.0
   47    55    58    60   0.15000  1.0 3.0
   47    55    58    66   0.56750  1.0 1.0
   47    55    58    66  -0.07550 -1.0 2.0
   47    55    58    66   0.20000  1.0 3.0
   47    55    61    62   0.15000  1.0 3.0
   47    55    61    63   0.15000  1.0 3.0
   47    55    61    69   0.56750  1.0 1.0
   47    55    61    69  -0.07550 -1.0 2.0
   47    55    61    69   0.20000  1.0 3.0
   47    78    79    80   0.28000  1.0 3.0
   47    78    79    81   0.28000  1.0 3.0
   47    78    79    82   0.23450  1.0 1.0
   47    78    79    82   0.02050 -1.0 2.0
   47    78    79    82   0.25250  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    55    61   0.15000  1.0 3.0
   48    47    78    74   0.28000  1.0 3.0
   48    47    78    79   0.28000  1.0 3.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    40   0.09850  1.0 1.0
   55    33    38    40   0.15250 -1.0 2.0
   55    33    38    40  -0.50650  1.0 3.0
   55    47    78    74   0.23450  1.0 1.0
   55    47    78    74   0.02050 -1.0 2.0
   55    47    78    74   0.25250  1.0 3.0
   55    47    78    79   0.23450  1.0 1.0
   55    47    78    79   0.02050 -1.0 2.0
   55    47    78    79   0.25250  1.0 3.0
   55    58    66    67   0.15000  1.0 3.0
   55    58    66    68   0.15000  1.0 3.0
   55    58   -66    74   0.56750  1.0 1.0
   55    58   -66    74  -0.07550 -1.0 2.0
   55    58   -66    74   0.20000  1.0 3.0
   55    61    69    70   0.15000  1.0 3.0
   55    61    69    71   0.15000  1.0 3.0
   55    61    69    72   0.15000  1.0 3.0
   58    55    61    62   0.15000  1.0 3.0
   58    55    61    63   0.15000  1.0 3.0
   58    55    61    69   0.56750  1.0 1.0
   58    55    61    69  -0.07550 -1.0 2.0
   58    55    61    69   0.20000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    78   1.53400  1.0 1.0
   58    66    74    78  -0.09950 -1.0 2.0
   58    66    74    78   0.05700  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    74   0.15000  1.0 3.0
   66    74   -78    47   0.23450  1.0 1.0
   66    74   -78    47   0.02050 -1.0 2.0
   66    74   -78    47   0.25250  1.0 3.0
   66    74    78    79   0.23450  1.0 1.0
   66    74    78    79   0.02050 -1.0 2.0
   66    74    78    79   0.25250  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    78   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    78   0.15000  1.0 3.0
   74    78    79    80   0.28000  1.0 3.0
   74    78    79    81   0.28000  1.0 3.0
   74    78    79    82   0.23450  1.0 1.0
   74    78    79    82   0.02050 -1.0 2.0
   74    78    79    82   0.25250  1.0 3.0
   75    74    78    47   0.28000  1.0 3.0
   75    74    78    79   0.28000  1.0 3.0
   76    74    78    47   0.28000  1.0 3.0
   76    74    78    79   0.28000  1.0 3.0
   78    47    55    33   1.53400  1.0 1.0
   78    47    55    33  -0.09950 -1.0 2.0
   78    47    55    33   0.05700  1.0 3.0
   78    47   -55    58   1.53400  1.0 1.0
   78    47   -55    58  -0.09950 -1.0 2.0
   78    47   -55    58   0.05700  1.0 3.0
   78    47    55    61   1.53400  1.0 1.0
   78    47    55    61  -0.09950 -1.0 2.0
   78    47    55    61   0.05700  1.0 3.0
   78    79   -82    77   0.83750  1.0 1.0
   78    79   -82    77   0.32200 -1.0 2.0
   78    79   -82    77   0.70600  1.0 3.0
   78    79    82    83   0.15000  1.0 3.0
   78    79    82    84   0.15000  1.0 3.0
   80    79    82    77   0.43200  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   81    79    82    77   0.43200  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   82    77    43    39   3.62500 -1.0 2.0
   82    77   -43    47   3.62500 -1.0 2.0
   61    55    58    59   0.15000  1.0 3.0
   61    55    58    60   0.15000  1.0 3.0
   61    55    58    66   0.56750  1.0 1.0
   61    55    58    66  -0.07550 -1.0 2.0
   61    55    58    66   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    72   0.15000  1.0 3.0
   40    38    39    42   1.50000 -1.0 2.0
   40    38    39    43   1.50000 -1.0 2.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51   0.08050  1.0 3.0
   40    44    49    52   0.08050  1.0 3.0
   41    40    44    49   2.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    43    39    38   4.00000 -1.0 2.0
   45    73    42    39   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   73    65    64    56   1.10000 -1.0 2.0
   64    77    73    42   4.00000 -1.0 2.0
   43    82    77    73   4.00000 -1.0 2.0
   77    47    43    39   4.00000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
