* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    159    240     469
    1     0 S   NP   _N1_     1    27.87402    94.65083   -22.86719
    2     1 S   H    _HN1     2     1.02798    98.23218  -147.25527
    3     1 S   H    _H1_     3     1.02844    94.47340   -38.00099
    4     1 S   H    _H2_     4     1.02917    20.22950    92.80986
    5     1 S   CT   _CA1     5     1.50597   130.07391    84.81914
    6     5 S   HC   _HA1     6     1.09538   104.51762    67.45146
    7     5 S   CO3  _C1_     7     1.54369   110.76072   -48.29290
    8     7 S   O2Z  _O11     8     1.25993   116.71882  -118.87741
    9     7 S   O2Z  _O12     9     1.26628   113.76014    59.52567
   10     5 S   CT   _CB1    10     1.53055   106.82586  -176.90206
   11    10 S   HC   HB11    11     1.09848   109.64958   -42.86298
   12    10 S   HC   HB12    12     1.09776   110.31845    73.71513
   13    10 S   CT   _CG1    13     1.53041   112.57971  -163.48958
   14    13 S   HC   HG11    14     1.09511   110.93128   -62.20128
   15    13 S   HC   HG12    15     1.09672   109.85540    56.93139
   16    13 S   C    _CD1    16     1.51898   112.03832   176.90080
   17    16 S   O    _OE1    17     1.22773   123.27261    -1.49698
   18    16 S   N    _N2_    18     1.38501   111.78376   178.69929
   19    18 S   H    _HN2    19     1.01586   118.96704     4.53354
   20    18 S   CT1  _CA2    20     1.45926   123.01164   177.53486
   21    20 S   HC   _HA2    21     1.09721   109.06316    20.94979
   22    20 S   C    _C2_    22     1.52896   106.91840   -96.02022
   23    22 S   O    _O2_    23     1.22984   123.05464   -26.91213
   24    20 S   CT   _CB2    32     1.53040   111.92951   144.12490
   25    24 S   HC   HB21    33     1.09667   110.03409    52.95518
   26    24 S   HC   HB22    34     1.09554   110.69541   171.65769
   27    22 S   N    _N3_    24     1.38521   112.60297   155.62871
   28    27 S   H    _HN3    25     1.01656   120.34747    -1.62365
   29    24 S   S    _SG2    35     1.82846   110.88965   -68.24612
   30    27 S   CT   _CA3    26     1.45345   122.41006   178.67884
   31    30 S   HC   HA31    27     1.09570   107.65490   -58.67407
   32    30 S   HC   HA32    28     1.09567   107.74330    57.62248
   33    29 S   CMA  _C24    36     1.80732    98.71096   166.03524
   34    33 S   OM   _O38    37     1.26456   120.00550    83.65469
   35    30 S   CO3  _C3_    29     1.52876   114.40469   179.46624
   36    35 S   O2Z  _O31    30     1.26324   116.10663    -1.89476
   37    35 S   O2Z  _O32    31     1.26452   114.39227   178.14924
   38    33 S   CM   _C23    38     1.35618   110.56257   -96.55437
   39    38 S   HC   _H23    39     1.08862   120.97607     0.18345
   40    38 S   CO4  _C22    40     1.50131   125.62298   178.79943
   41    40 S   O    _O39    41     1.22799   123.37077     4.83926
   42    40 S   CT   _C21    42     1.51250   115.81679  -175.58261
   43    42 S   HC   _H21    43     1.09561   108.38613   -52.48017
   44    42 S   HC   _H22    44     1.09573   108.36581  -169.16569
   45    42 S   CO4  _C20    45     1.51486   114.79953    69.93414
   46    45 S   O    _O37    46     1.22942   121.83863     7.01400
   47    45 S   CT   _C19    47     1.52493   115.54662  -170.83625
   48    47 S   HC   _H19    48     1.09666   104.87891    81.12071
   49    47 S   HC   _H20    49     1.09746   107.67391   -33.74642
   50    47 S   CT   _C18    50     1.54919   115.66354  -156.20736
   51    50 S   CM   _C13    51     1.52268   110.96279   177.75999
   52    50 S   OH   _O40    88     1.43379   109.03321   -64.29998
   53    52 S   HO   _H24    89     0.97303   108.57292   -42.49580
   54    51 S   CMA  _C14    52     1.35541   127.05811  -128.49209
   55    54 S   OM   _O42    53     1.26436   131.19392   178.65929
   56    51 S   CO4  _C12    64     1.49747   116.98526    52.67858
   57    56 S   O    _O36    65     1.22963   120.70896   -83.34501
   58    54 S   CT   _C15    54     1.52820   118.43954    -2.87126
   59    58 S   HC   _H15    55     1.09975   108.34679   102.34365
   60    58 S   HC   _H16    56     1.10039   110.51375  -140.48569
   61    56 S   CT   _C11    66     1.51106   117.01432    94.86783
   62    61 S   HC   _H13    67     1.09502   110.69692     4.44634
   63    61 S   HC   _H14    68     1.09564   107.00210   121.77650
   64    58 S   CT   _C16    57     1.53165   114.28496   -18.96968
   65    64 S   HC   _H3_    58     1.09611   109.22410   168.64100
   66    61 S   CO4  _C10    69     1.51354   114.00790  -117.20762
   67    66 S   O    _O35    70     1.22976   121.40356    24.21802
   68    50 S   CT   _C17    59     1.54663   109.79477    53.77102
   69    68 S   HC   _H17    60     1.09799   109.97391    38.38729
   70    68 S   HC   _H18    61     1.09679   109.74635   -80.05465
   71    64 S   OH   _O41    62     1.42525   110.77172   -74.05064
   72    71 S   HO   _H25    63     0.97195   107.72048   -51.66507
   73    66 S   CT   _C9_    71     1.51404   115.56220  -156.02922
   74    73 S   HC   _H11    72     1.09550   108.23895   -44.15373
   75    73 S   HC   _H12    73     1.09554   106.83688    73.26873
   76    73 S   CO4  _C8_    74     1.51584   117.31052  -165.11605
   77    76 S   O    _O34    75     1.22892   122.57008    16.47494
   78    76 S   CT   _C7_    76     1.51680   115.08225  -163.78558
   79    78 S   HC   _H9_    77     1.09539   108.63308   -42.46167
   80    78 S   HC   _H10    78     1.09492   106.98789    74.88679
   81    78 S   CO4  _C6_    79     1.51457   116.56764  -163.12545
   82    81 S   O    _O33    80     1.22995   122.35162    25.41283
   83    81 S   CT   _C5_    81     1.52007   115.63855  -157.12486
   84    83 S   HC   _H7_    82     1.09475   108.21782    62.38311
   85    83 S   HC   _H8_    83     1.09511   108.14634   -55.18712
   86    83 S   CT   _C4_    84     1.51809   112.74248  -176.31586
   87    86 S   HC   _H4_    85     1.09506   110.99429    60.44167
   88    86 S   HC   _H5_    86     1.09428   110.38176  -179.59122
   89    86 S   HC   _H6_    87     1.09474   111.16434   -59.49229
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   7   4   8   4   3   8   4  12   5
   4  15  17   7   1  11   5   9   4   9   5   4   8   4   3   6
   5   7   4   4   2   1   1   1   8   4   3   7   4   8   4   3
   8   4   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51    68    52  
   47    48    49    50  
   48    49    50    51    54    64    68    69    70    56    52    53  
   49    50    51    68    52  
   50    51    68    52  
   51    54    55    58    64    65    68    69    70    71    56    57    61    52    53  
   54    55    58    59    60    64    68    69    70    56    57    61    62    63    66    52    53  
   53    54    56    64    68    69    70  
   68  
   55    58    59    60    64    65    68    71    56    57    61  
   58    59    60    64    56  
   57    61    62    63    66    67    73    58    68  
   61    62    63    66  
   59    60    64    65    68    69    70    71    72  
   60    64    65    68    71  
   64    65    68    71  
   62    63    66    67    73    74    75    76  
   63    66    67    73  
   66    67    73  
   65    68    69    70    71    72  
   68    69    70    71    72  
   67    73    74    75    76    77    78  
   73    74    75    76  
   69    70    71    72  
   70    71  
   71  
   72  
    0  
   74    75    76    77    78    79    80    81  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81    82    83  
   78    79    80    81  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86    87    88    89  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.575000   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   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   34   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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   240.000  1.763
   33    34   745.000  1.250
   33    38   465.000  1.376
   38    39   340.000  1.080
   38    40   320.000  1.462
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   317.000  1.510
   50    68   268.000  1.529
   50    52   320.000  1.410
   51    54   465.000  1.376
   51    56   320.000  1.462
   54    55   745.000  1.250
   54    58   270.000  1.512
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   71    72   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   317.000  1.522
   66    67   570.000  1.229
   66    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.522
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.522
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   52    53   553.000  0.945
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    95.00000  113.88000
   29    33    38    65.00000  122.11800
   33    38    39    40.00000  120.50800
   33    38    40    60.00000  125.92000
   38    33    34    65.00000  137.10300
   38    40    41    80.00000  123.72100
   38    40    42    65.00000  118.62400
   40    38    39    40.00000  117.72500
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    75.00000  107.99600
   42    40    41    80.00000  120.40000
   42    45    46    80.00000  120.40000
   42    45    47    70.00000  116.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    63.00000  111.10000
   47    45    46    80.00000  120.40000
   47    50    51    70.00000  112.02700
   47    50    68    58.35000  112.70000
   47    50    52    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    54    70.00000  124.00000
   50    51    56    65.00000  116.34900
   50    68    64    58.35000  112.70000
   50    68    69    37.50000  110.70000
   50    68    70    37.50000  110.70000
   50    52    53    55.00000  108.50000
   51    54    55    65.00000  137.10300
   51    54    58    65.00000  122.18000
   51    56    57    80.00000  123.72100
   51    56    61    65.00000  118.62400
   54    58    59    45.00000  110.52000
   54    58    60    45.00000  110.52000
   54    58    64    70.00000  112.02700
   58    54    55    85.00000  112.85300
   58    64    65    37.50000  110.70000
   58    64    68    58.35000  112.70000
   58    64    71    50.00000  109.50000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    71    72    55.00000  108.50000
   68    50    51    70.00000  112.02700
   68    64    65    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    68    50.00000  109.50000
   56    51    54    60.00000  125.92000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    66    75.00000  107.99600
   61    56    57    80.00000  120.40000
   61    66    67    80.00000  120.40000
   61    66    73    70.00000  116.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    75.00000  107.99600
   73    66    67    80.00000  120.40000
   73    76    77    80.00000  120.40000
   73    76    78    70.00000  116.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    75.00000  107.99600
   78    76    77    80.00000  120.40000
   78    81    82    80.00000  120.40000
   78    81    83    70.00000  116.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    63.00000  111.10000
   83    81    82    80.00000  120.40000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   52    50    51    90.00000  110.39200
   52    50    68    50.00000  109.50000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   0.65300  1.0 1.0
   38    40    42    45  -0.03850 -1.0 2.0
   38    40    42    45   0.33900  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.04550  1.0 1.0
   39    38    40    42   0.83000 -1.0 2.0
   39    38    40    42  -0.04000  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    47   0.65300  1.0 1.0
   40    42    45    47  -0.03850 -1.0 2.0
   40    42    45    47   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.00000  1.0 1.0
   42    45    47    50   0.60050  1.0 1.0
   42    45    47    50   0.05600 -1.0 2.0
   42    45    47    50   0.26150  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    47   0.00000  1.0 1.0
   45    47    50    51  -0.98800  1.0 1.0
   45    47    50    51   0.48800 -1.0 2.0
   45    47    50    51   0.76800  1.0 3.0
   45    47    50    68  -0.95700  1.0 1.0
   45    47    50    68  -0.18200 -1.0 2.0
   45    47    50    68   0.29450  1.0 3.0
   45    47    50    52  -0.09450  1.0 1.0
   45    47    50    52  -1.12950 -1.0 2.0
   45    47    50    52   0.54000  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    51    54   0.09850  1.0 1.0
   47    50    51    54   0.15250 -1.0 2.0
   47    50    51    54  -0.50650  1.0 3.0
   47    50    51    56   0.09700  1.0 1.0
   47    50    51    56   0.15600 -1.0 2.0
   47    50    51    56  -0.50800  1.0 3.0
   47    50    68    64   0.56750  1.0 1.0
   47    50    68    64  -0.07550 -1.0 2.0
   47    50    68    64   0.20000  1.0 3.0
   47    50    68    69   0.15000  1.0 3.0
   47    50    68    70   0.15000  1.0 3.0
   47    50    52    53  -0.11600  1.0 1.0
   47    50    52    53  -0.09450 -1.0 2.0
   47    50    52    53   0.21250  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    68   0.15000  1.0 3.0
   48    47    50    52   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    68   0.15000  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   50    51    54    55   7.00000 -1.0 2.0
   50    51    54    58   7.00000 -1.0 2.0
   50    51    56    57  -0.64400  1.0 1.0
   50    51    56    57   0.26850 -1.0 2.0
   50    51    56    61   0.25700  1.0 1.0
   50    51    56    61   0.66200 -1.0 2.0
   50    51    56    61   0.04450  1.0 3.0
   51    50    68    64   0.34400  1.0 1.0
   51    50    68    64   0.09450 -1.0 2.0
   51    50    68    64   0.11100  1.0 3.0
   51    50    68    69   0.15000  1.0 3.0
   51    50    68    70   0.15000  1.0 3.0
   51    50    52    53  -0.07800  1.0 1.0
   51    50    52    53  -0.21500 -1.0 2.0
   51    50    52    53  -0.03150  1.0 3.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    60   0.00000  1.0 1.0
   51    54   -58    64   0.09850  1.0 1.0
   51    54   -58    64   0.15250 -1.0 2.0
   51    54   -58    64  -0.50650  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   51    56    61    66   0.65300  1.0 1.0
   51    56    61    66  -0.03850 -1.0 2.0
   51    56    61    66   0.33900  1.0 3.0
   54    51    56    57   1.00000 -1.0 2.0
   54    51    56    61  -0.33500  1.0 1.0
   54    51    56    61   1.06600 -1.0 2.0
   54    51    56    61  -0.14000  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    68   0.34400  1.0 1.0
   54    58    64    68   0.09450 -1.0 2.0
   54    58    64    68   0.11100  1.0 3.0
   54    58    64    71   1.05650  1.0 1.0
   54    58    64    71   0.15600 -1.0 2.0
   54    58    64    71   0.53150  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    64   0.09700  1.0 1.0
   55    54    58    64   0.15600 -1.0 2.0
   55    54    58    64  -0.50800  1.0 3.0
   58    64   -68    50   0.56750  1.0 1.0
   58    64   -68    50  -0.07550 -1.0 2.0
   58    64   -68    50   0.20000  1.0 3.0
   58    64    68    69   0.15000  1.0 3.0
   58    64    68    70   0.15000  1.0 3.0
   58    64    71    72  -0.11600  1.0 1.0
   58    64    71    72  -0.09450 -1.0 2.0
   58    64    71    72   0.21250  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    68   0.15000  1.0 3.0
   59    58    64    71   0.23400  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    68   0.15000  1.0 3.0
   60    58    64    71   0.23400  1.0 3.0
   65    64    68    50   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    71    72   0.19450  1.0 3.0
   68    50   -51    54   0.09850  1.0 1.0
   68    50   -51    54   0.15250 -1.0 2.0
   68    50   -51    54  -0.50650  1.0 3.0
   68    50    51    56   0.09700  1.0 1.0
   68    50    51    56   0.15600 -1.0 2.0
   68    50    51    56  -0.50800  1.0 3.0
   68    50    52    53  -0.11600  1.0 1.0
   68    50    52    53  -0.09450 -1.0 2.0
   68    50    52    53   0.21250  1.0 3.0
   68    64    71    72  -0.11600  1.0 1.0
   68    64    71    72  -0.09450 -1.0 2.0
   68    64    71    72   0.21250  1.0 3.0
   71    64    68    50   0.86500  1.0 1.0
   71    64    68    50  -0.17500 -1.0 2.0
   71    64    68    50   0.20800  1.0 3.0
   71    64    68    69   0.23400  1.0 3.0
   71    64    68    70   0.23400  1.0 3.0
   56    51    54    55   7.00000 -1.0 2.0
   56    51    54    58   7.00000 -1.0 2.0
   56    61    66    67   0.30150 -1.0 2.0
   56    61    66    73   0.65300  1.0 1.0
   56    61    66    73  -0.03850 -1.0 2.0
   56    61    66    73   0.33900  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    66   0.30150 -1.0 2.0
   61    66    73    74   0.00000  1.0 1.0
   61    66    73    75   0.00000  1.0 1.0
   61    66    73    76   0.65300  1.0 1.0
   61    66    73    76  -0.03850 -1.0 2.0
   61    66    73    76   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    73   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    73   0.00000  1.0 1.0
   66    73    76    77   0.30150 -1.0 2.0
   66    73    76    78   0.65300  1.0 1.0
   66    73    76    78  -0.03850 -1.0 2.0
   66    73    76    78   0.33900  1.0 3.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    73    75   0.00000  1.0 1.0
   67    66    73    76   0.30150 -1.0 2.0
   73    76    78    79   0.00000  1.0 1.0
   73    76    78    80   0.00000  1.0 1.0
   73    76    78    81   0.65300  1.0 1.0
   73    76    78    81  -0.03850 -1.0 2.0
   73    76    78    81   0.33900  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    78   0.00000  1.0 1.0
   76    78    81    82   0.30150 -1.0 2.0
   76    78    81    83   0.65300  1.0 1.0
   76    78    81    83  -0.03850 -1.0 2.0
   76    78    81    83   0.33900  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.30150 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.60050  1.0 1.0
   78    81    83    86   0.05600 -1.0 2.0
   78    81    83    86   0.26150  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   80    78    81    83   0.00000  1.0 1.0
   81    83    86    87  -0.11250  1.0 3.0
   81    83    86    88  -0.11250  1.0 3.0
   81    83    86    89  -0.11250  1.0 3.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.30150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   52    50    51    54   0.67800  1.0 1.0
   52    50    51    54   0.47050 -1.0 2.0
   52    50    51    54  -0.62500  1.0 3.0
   52    50    51    56   0.09700  1.0 1.0
   52    50    51    56   0.15600 -1.0 2.0
   52    50    51    56  -0.50800  1.0 3.0
   52    50    68    64   0.86500  1.0 1.0
   52    50    68    64  -0.17500 -1.0 2.0
   52    50    68    64   0.20800  1.0 3.0
   52    50    68    69   0.23400  1.0 3.0
   52    50    68    70   0.23400  1.0 3.0
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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
   50    56    51    54   1.10000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   51    61    56    57  10.50000 -1.0 2.0
   61    73    66    67  10.50000 -1.0 2.0
   73    78    76    77  10.50000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
END
