* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    154    256     453
    1     0 S   NP   _N1_     1    28.71813    97.33023   -22.77766
    2     1 S   H    _HN1     2     1.02799   104.88191  -112.76023
    3     1 S   H    _H1_     3     1.02947    69.04400    -8.46487
    4     1 S   H    _H2_     4     1.02826    41.50484   146.93941
    5     1 S   CT   _CA1     5     1.50149   140.35094    88.65230
    6     5 S   HC   _HA1     6     1.09573   105.16499    96.43884
    7     5 S   CO3  _C1_     7     1.53802   112.25667   -23.78014
    8     7 S   O2Z  _O11     8     1.26387   115.00052   -46.09966
    9     7 S   O2Z  _O12     9     1.26216   114.96643   132.64074
   10     5 S   CT   _CB1    10     1.53040   107.36021  -145.62032
   11    10 S   HC   HB11    11     1.09844   109.46588   -48.66945
   12    10 S   HC   HB12    12     1.09806   110.47145    67.96487
   13    10 S   CT   _CG1    13     1.52987   112.55437  -169.51594
   14    13 S   HC   HG11    14     1.09570   110.73669   -65.90982
   15    13 S   HC   HG12    15     1.09661   109.70712    53.30674
   16    13 S   C    _CD1    16     1.51818   111.85353   173.98523
   17    16 S   O    _OE1    17     1.22777   123.14309    14.77190
   18    16 S   N    _N2_    18     1.38511   111.89533  -165.56537
   19    18 S   H    _HN2    19     1.01785   118.98123     0.58817
   20    18 S   CT1  _CA2    20     1.46206   123.67607   179.46186
   21    20 S   HC   _HA2    21     1.09736   109.07877    11.46693
   22    20 S   C    _C2_    22     1.53696   109.74396  -104.42978
   23    22 S   O    _O2_    23     1.23132   122.04092  -152.83596
   24    20 S   CT   _CB2    32     1.53436   111.15409   133.12699
   25    24 S   HC   HB21    33     1.09367   109.33828    60.03870
   26    24 S   HC   HB22    34     1.09524   110.34485   177.98297
   27    22 S   N    _N3_    24     1.38274   114.19306    34.82348
   28    27 S   H    _HN3    25     1.01517   119.60895    -4.15275
   29    24 S   S    _SG2    35     1.83274   111.06933   -63.16540
   30    27 S   CT   _CA3    26     1.45275   123.22033   176.96043
   31    30 S   HC   HA31    27     1.09553   107.59957   -62.09988
   32    30 S   HC   HA32    28     1.09557   107.87070    54.30702
   33    29 S   CT   _C9_    36     1.84060   102.37170   143.96042
   34    33 S   OM   _O34    37     1.31826   108.61420  -178.17887
   35    30 S   CO3  _C3_    29     1.52963   114.13839   176.23298
   36    35 S   O2Z  _O31    30     1.26376   116.12281    -0.42750
   37    35 S   O2Z  _O32    31     1.26438   114.40357   179.59846
   38    33 S   CM   _C6_    38     1.52497   112.43024   -56.91906
   39    38 S   CMA  _C7_    39     1.35524   112.92778   130.70222
   40    39 S   OM   _O33    40     1.25607   134.94436   179.34658
   41    38 S   CO4  _C5_    74     1.48556   125.12247   -47.10416
   42    41 S   O    _O35    75     1.23125   120.73432   116.81464
   43    39 S   NE   _N4_    41     1.39955   108.56171    -1.63303
   44    41 S   CT   _C4_    76     1.50409   118.00596   -61.53083
   45    44 S   HC   _H6_    77     1.09255   109.80872    87.07987
   46    44 S   HC   _H7_    78     1.09314   110.74928   -35.06399
   47    44 S   HC   _H8_    79     1.09418   109.07055  -153.17767
   48    33 S   CT   _C8_    42     1.56246   112.56457    56.39806
   49    48 S   HC   _H3_    43     1.09819   110.55079   -21.19104
   50    48 S   CT   _C10    44     1.53416   122.32412   109.39295
   51    50 S   HC   _H4_    45     1.09659   112.28412    39.00546
   52    50 S   C5B  _C11    46     1.49029   114.48778   -86.32686
   53    50 S   CT   _C20    63     1.58333   100.60227   153.54888
   54    53 S   HC   _H5_    64     1.09941   108.47951  -159.62795
   55    52 S   C5A  _C12    47     1.37588   133.42449    85.31212
   56    55 S   HA   _H9_    48     1.08119   131.70437    -1.13712
   57    43 S   CT   _C21    65     1.47547   133.03605   149.02594
   58    55 S   NA   _N5_    49     1.38026   107.85391   178.66896
   59    58 S   H    _H10    50     1.01036   124.75031   179.96044
   60    57 S   CT   _C22    66     1.54241   110.30745   -50.10008
   61    60 S   HC   _H16    67     1.09522   111.78078    68.79175
   62    60 S   HC   _H17    68     1.09502   112.18047   -51.25224
   63    60 S   HC   _H18    69     1.09590   110.73019  -171.83586
   64    57 S   CT   _C23    70     1.53190   112.01009    71.90539
   65    64 S   HC   _H19    71     1.09526   111.76307   -72.92534
   66    64 S   HC   _H20    72     1.09558   110.92201   168.06475
   67    64 S   HC   _H21    73     1.09490   112.10980    46.61252
   68    58 S   CN   _C13    51     1.37781   110.27758    -0.12195
   69    68 S   CA   _C18    52     1.39565   133.00110  -179.98022
   70    69 S   HA   _H13    53     1.08394   121.97374     0.30390
   71    69 S   CA   _C17    54     1.40652   116.65614  -179.25009
   72    71 S   HA   _H12    55     1.08798   118.94028   179.44433
   73    71 S   CA   _C16    56     1.40337   121.98537    -0.01978
   74    73 S   HA   _H11    57     1.08686   119.43595   178.87918
   75    73 S   CA   _C15    58     1.39741   120.48811    -0.80649
   76    52 S   CR3  _C14    59     1.40813   120.04248   -96.05033
   77    75 S   CT   _C19    60     1.50499   125.44223   176.54266
   78    77 S   HC   _H14    61     1.09608   107.26580   -80.13655
   79    77 S   HC   _H15    62     1.09613   109.40473    36.74653
  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
  15   7   2   1   1  13  12   4   7   4  17   3   2   1   1  12
   5  16   7  13  17   7   7   4  12   7   3   8   3   2   1   4
   2   1   1   8   7   4   6   3   6   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    48    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    49    50    51    52    53    57    41    42    44  
   38    39    43    48    49    50    41  
   36    37  
   37  
    0  
   39    40    43    48    49    50    57    41    42    44    45    46    47  
   40    43    48    49    50    53    57    60    64    41    42    44  
   43    48    57    41  
   42    44    45    46    47    43    48  
   44    45    46    47  
   48    49    50    51    52    77    53    54    57    60    61    62    63    64    65    66    67  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    55    76    77    53    54    57    60    64  
   50    51    52    53    57  
   51    52    55    56    58    68    75    76    77    78    79    53    54    57    60    64  
   52    55    76    77    53    54    57  
   55    56    58    59    68    69    73    75    76    77    53    54    57  
   54    57    60    61    62    63    64    65    66    67    55    73    75    76    77    78    79  
   57    60    64    75    77    78    79  
   56    58    59    68    69    75    76  
   58    59    68    76  
   60    61    62    63    64    65    66    67    75    77    78    79  
   59    68    69    70    71    75    76  
   68    69    76  
   61    62    63    64    65    66    67    77  
   62    63    64  
   63    64  
   64  
   65    66    67    77  
   66    67  
   67  
    0  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    76  
   71    72    73    76  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.004100   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.235300   1.9750   1.7500   0.005000000  -0.741685710
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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   570.000  1.307
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   415.000  1.382
   43    48   382.000  1.448
   43    57   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   50    51   340.000  1.090
   50    52   295.000  1.494
   50    53   268.000  1.529
   52    55   520.000  1.370
   52    76   400.000  1.418
   55    56   367.000  1.080
   55    58   427.000  1.381
   58    59   434.000  1.010
   58    68   450.000  1.364
   68    69   485.000  1.374
   68    76   480.000  1.377
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   490.000  1.398
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   57    60   268.000  1.529
   57    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   570.000  1.229
   41    44   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    48    43    80.00000  111.61500
   33    48    49    37.50000  110.70000
   33    48    50    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    75.00000  114.40000
   38    41    42    80.00000  123.72100
   38    41    44    65.00000  118.62400
   39    43    48    50.00000  121.00000
   39    43    57    50.00000  121.00000
   43    39    40   105.00000  113.92000
   43    48    49    35.00000  109.50000
   43    48    50    80.00000  111.61500
   43    57    53    80.00000  111.61500
   43    57    60    80.00000  111.61500
   43    57    64    80.00000  111.61500
   48    33    34    50.00000  109.50000
   48    33    38    70.00000  112.02700
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.62400
   48    50    53    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    55    55.00000  127.77900
   50    52    76    80.00000  105.07000
   50    53    77    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    57    58.35000  112.70000
   52    50    51    45.00000  111.11700
   52    55    56    35.00000  130.70000
   52    55    58    70.00000  106.30000
   52    76    68    80.00000  108.23900
   52    76    75    50.00000  136.08700
   55    58    59    35.00000  120.00000
   55    58    68    85.00000  109.59900
   58    55    56    35.00000  121.60000
   58    68    69    65.00000  126.13900
   58    68    76    90.00000  107.25500
   68    58    59    35.00000  121.00000
   68    69    70    40.00000  120.02000
   68    69    71    65.00000  119.97700
   68    76    75    70.00000  117.96600
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  112.88000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    53    70.00000  112.17500
   76    52    55    80.00000  108.23900
   76    68    69    70.00000  112.88000
   77    75    76    80.00000  105.07000
   77    53    54    37.50000  110.70000
   77    53    57    58.35000  112.70000
   79    77    78    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.62400
   53    77    78    37.50000  110.70000
   53    77    79    37.50000  110.70000
   53    57    60    58.35000  112.70000
   53    57    64    58.35000  112.70000
   57    43    48    50.00000  115.00000
   57    53    54    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   44    41    42    80.00000  120.40000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    44   0.25700  1.0 1.0
   33    38    41    44   0.66200 -1.0 2.0
   33    38    41    44   0.04450  1.0 3.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52  -0.03700  1.0 1.0
   33    48    50    52   0.37200 -1.0 2.0
   33    48    50    52  -0.47300  1.0 3.0
   33    48    50    53   0.56750  1.0 1.0
   33    48    50    53  -0.07550 -1.0 2.0
   33    48    50    53   0.20000  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    48    43   2.03850  1.0 1.0
   34    33    48    43  -0.40600 -1.0 2.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   0.62750  1.0 1.0
   34    33    48    50  -0.30950 -1.0 2.0
   34    33    48    50   0.27300  1.0 3.0
   38    33   -48    43   0.21700  1.0 1.0
   38    33   -48    43   0.68550 -1.0 2.0
   38    33   -48    43  -0.27950  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.34400  1.0 1.0
   38    33    48    50   0.09450 -1.0 2.0
   38    33    48    50   0.11100  1.0 3.0
   38    39   -43    48  -0.54700  1.0 1.0
   38    39   -43    48   1.23000 -1.0 2.0
   38    39    43    57  -0.54700  1.0 1.0
   38    39    43    57   1.23000 -1.0 2.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    47   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    44  -0.33500  1.0 1.0
   39    38    41    44   1.06600 -1.0 2.0
   39    38    41    44  -0.14000  1.0 3.0
   39    43   -48    33   0.25450  1.0 1.0
   39    43   -48    33  -0.61700 -1.0 2.0
   39    43   -48    33  -0.23550  1.0 3.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    50   0.25450  1.0 1.0
   39    43    48    50  -0.61700 -1.0 2.0
   39    43    48    50  -0.23550  1.0 3.0
   39    43    57    53   0.25450  1.0 1.0
   39    43    57    53  -0.61700 -1.0 2.0
   39    43    57    53  -0.23550  1.0 3.0
   39    43    57    60   0.25450  1.0 1.0
   39    43    57    60  -0.61700 -1.0 2.0
   39    43    57    60  -0.23550  1.0 3.0
   39    43    57    64   0.25450  1.0 1.0
   39    43    57    64  -0.61700 -1.0 2.0
   39    43    57    64  -0.23550  1.0 3.0
   40    39    43    48   1.00000 -1.0 2.0
   40    39    43    57   1.00000 -1.0 2.0
   43    48    50    51   0.22950  1.0 3.0
   43    48    50    52   0.08550  1.0 1.0
   43    48    50    52   1.07500 -1.0 2.0
   43    48    50    52  -0.10950  1.0 3.0
   43    48   -50    53   1.26750  1.0 1.0
   43    48   -50    53  -0.00950 -1.0 2.0
   43    48   -50    53   0.30600  1.0 3.0
   43    57    60    61   0.22950  1.0 3.0
   43    57    60    62   0.22950  1.0 3.0
   43    57    60    63   0.22950  1.0 3.0
   43    57    64    65   0.22950  1.0 3.0
   43    57    64    66   0.22950  1.0 3.0
   43    57    64    67   0.22950  1.0 3.0
   48    33   -38    39   0.09850  1.0 1.0
   48    33   -38    39   0.15250 -1.0 2.0
   48    33   -38    39  -0.50650  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    43   -57    53   0.00000  1.0 1.0
   48    43    57    60   0.00000  1.0 1.0
   48    43    57    64   0.00000  1.0 1.0
   48    50    52    55   0.04150 -1.0 2.0
   48    50    52    76   0.04150 -1.0 2.0
   48    50    53    77   0.56750  1.0 1.0
   48    50    53    77  -0.07550 -1.0 2.0
   48    50    53    77   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50   -53    57   0.56750  1.0 1.0
   48    50   -53    57  -0.07550 -1.0 2.0
   48    50   -53    57   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   50    52    55    56   3.62500 -1.0 2.0
   50    52    55    58   3.62500 -1.0 2.0
   50    52    76    68   3.62500 -1.0 2.0
   50    52    76    75   3.62500 -1.0 2.0
   50    53   -57    43   1.26750  1.0 1.0
   50    53   -57    43  -0.00950 -1.0 2.0
   50    53   -57    43   0.30600  1.0 3.0
   50    53    57    60   0.56750  1.0 1.0
   50    53    57    60  -0.07550 -1.0 2.0
   50    53    57    60   0.20000  1.0 3.0
   50    53    57    64   0.56750  1.0 1.0
   50    53    57    64  -0.07550 -1.0 2.0
   50    53    57    64   0.20000  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    52    76   0.00000  1.0 1.0
   51    50    53    77   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    77  -0.03700  1.0 1.0
   52    50    53    77   0.37200 -1.0 2.0
   52    50    53    77  -0.47300  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    57  -0.03700  1.0 1.0
   52    50    53    57   0.37200 -1.0 2.0
   52    50    53    57  -0.47300  1.0 3.0
   52    55    58    59   1.40000 -1.0 2.0
   52    55   -58    68   3.62500 -1.0 2.0
   55    52   -76    68   3.62500 -1.0 2.0
   55    52    76    75   3.62500 -1.0 2.0
   55    58    68    69   3.62500 -1.0 2.0
   55    58   -68    76   3.62500 -1.0 2.0
   56    55    58    59   2.00000 -1.0 2.0
   56    55    58    68   3.62500 -1.0 2.0
   58    68    69    70   3.62500 -1.0 2.0
   58    68    69    71   3.62500 -1.0 2.0
   58    68   -76    52   3.62500 -1.0 2.0
   58    68    76    75   3.62500 -1.0 2.0
   59    58    68    69   2.00000 -1.0 2.0
   59    58    68    76   2.00000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    76    52   3.62500 -1.0 2.0
   69    68    76    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    52   3.62500 -1.0 2.0
   73    75   -76    68   3.62500 -1.0 2.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   73    75    77    53   0.04150 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -53    50  -0.03700  1.0 1.0
   75    77   -53    50   0.37200 -1.0 2.0
   75    77   -53    50  -0.47300  1.0 3.0
   75    77    53    54   0.43200  1.0 3.0
   75    77    53    57  -0.03700  1.0 1.0
   75    77    53    57   0.37200 -1.0 2.0
   75    77    53    57  -0.47300  1.0 3.0
   76    52    55    56   3.62500 -1.0 2.0
   76    52   -55    58   3.62500 -1.0 2.0
   76    68    69    70   3.62500 -1.0 2.0
   76    68   -69    71   3.62500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    53   0.04150 -1.0 2.0
   77    75   -76    52   3.62500 -1.0 2.0
   77    75    76    68   3.62500 -1.0 2.0
   77    53    57    43   1.26750  1.0 1.0
   77    53    57    43  -0.00950 -1.0 2.0
   77    53    57    43   0.30600  1.0 3.0
   77    53    57    60   0.56750  1.0 1.0
   77    53    57    60  -0.07550 -1.0 2.0
   77    53    57    60   0.20000  1.0 3.0
   77    53    57    64   0.56750  1.0 1.0
   77    53    57    64  -0.07550 -1.0 2.0
   77    53    57    64   0.20000  1.0 3.0
   78    77    53    50   0.15000  1.0 3.0
   78    77    53    54   0.15000  1.0 3.0
   78    77    53    57   0.15000  1.0 3.0
   79    77    53    50   0.15000  1.0 3.0
   79    77    53    54   0.15000  1.0 3.0
   79    77    53    57   0.15000  1.0 3.0
   53    50    52    55   0.04150 -1.0 2.0
   53    50   -52    76   0.04150 -1.0 2.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    62   0.15000  1.0 3.0
   53    57    60    63   0.15000  1.0 3.0
   53    57    64    65   0.15000  1.0 3.0
   53    57    64    66   0.15000  1.0 3.0
   53    57    64    67   0.15000  1.0 3.0
   54    53    57    43   0.22950  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    64   0.15000  1.0 3.0
   57    43    48    33   0.00000  1.0 1.0
   57    43    48    49   0.00000  1.0 1.0
   57    43   -48    50   0.00000  1.0 1.0
   60    57    64    65   0.15000  1.0 3.0
   60    57    64    66   0.15000  1.0 3.0
   60    57    64    67   0.15000  1.0 3.0
   64    57    60    61   0.15000  1.0 3.0
   64    57    60    62   0.15000  1.0 3.0
   64    57    60    63   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    47   0.00000  1.0 1.0
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    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   57    39    43    48   1.00000 -1.0 2.0
   55    76    52    50   4.00000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   59    55    58    68   1.00000 -1.0 2.0
   69    76    68    58   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   68    75    76    52   4.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
END
