* LIGAND DATABASE FILE (OPLS2005)
*
001      85    89    167    270     493
    1     0 S   NP   _N1_     1    28.71844    94.02888   -21.22264
    2     1 S   H    _HN1     2     1.02782    89.16946   -76.99349
    3     1 S   H    _H1_     3     1.02960    94.52861    31.29569
    4     1 S   H    _H2_     4     1.02838    27.91674   149.94272
    5     1 S   CT   _CA1     5     1.50094   138.42133   159.40701
    6     5 S   HC   _HA1     6     1.09571   105.28515    54.50850
    7     5 S   CO3  _C1_     7     1.53795   112.30865   -65.80788
    8     7 S   O2Z  _O11     8     1.26362   115.04627   -46.18555
    9     7 S   O2Z  _O12     9     1.26234   114.93622   133.18603
   10     5 S   CT   _CB1    10     1.53102   107.43772   172.44950
   11    10 S   HC   HB11    11     1.09820   109.42965   -50.60252
   12    10 S   HC   HB12    12     1.09826   110.38000    65.95880
   13    10 S   CT   _CG1    13     1.53006   112.65326  -171.72806
   14    13 S   HC   HG11    14     1.09545   110.38429   -60.62094
   15    13 S   HC   HG12    15     1.09631   110.12539    58.55163
   16    13 S   C    _CD1    16     1.51786   112.19555   178.81651
   17    16 S   O    _OE1    17     1.22729   123.19837    -9.90270
   18    16 S   N    _N2_    18     1.38605   111.69217   170.60451
   19    18 S   H    _HN2    19     1.01589   119.03736     1.18035
   20    18 S   CT1  _CA2    20     1.46224   123.37123  -178.29751
   21    20 S   HC   _HA2    21     1.09733   109.37735   -13.42025
   22    20 S   C    _C2_    22     1.53397   108.30399  -129.15438
   23    22 S   O    _O2_    23     1.23010   122.24868  -145.47742
   24    20 S   CT   _CB2    32     1.53480   111.37511   108.65651
   25    24 S   HC   HB21    33     1.09429   109.53121    55.61855
   26    24 S   HC   HB22    34     1.09512   110.37863   174.43521
   27    22 S   N    _N3_    24     1.38509   113.34670    41.85100
   28    27 S   H    _HN3    25     1.01530   118.92597    -0.55107
   29    24 S   S    _SG2    35     1.82789   111.62821   -65.94814
   30    27 S   CT   _CA3    26     1.45456   123.45665   175.14292
   31    30 S   HC   HA31    27     1.09522   109.25235    24.06606
   32    30 S   HC   HA32    28     1.09496   107.11675   141.07086
   33    29 S   CT   _C20    36     1.85182   100.27529   173.70649
   34    33 S   HC   _H5_    37     1.09866   103.60083    37.81264
   35    30 S   CO3  _C3_    29     1.52925   113.10607   -99.42389
   36    35 S   O2Z  _O31    30     1.26403   115.40163   -44.58275
   37    35 S   O2Z  _O32    31     1.26355   114.98524   136.34941
   38    33 S   CT   _C19    38     1.55221   111.39858   -74.67815
   39    38 S   HC   _H4_    39     1.09615   109.74978    59.09343
   40    38 S   NA   _N5_    40     1.46308   108.33694   172.87327
   41    38 S   CO4  _C21    79     1.52064   115.32020   -62.99808
   42    41 S   O    _O33    80     1.22416   125.05130   -89.39873
   43    40 S   C56A _C18    41     1.37664   128.84340  -140.82343
   44    40 S   CR3  _C11    52     1.35681   121.18522    36.70719
   45    41 S   OS   _O34    81     1.36596   109.62492    90.90089
   46    43 S   CA   _C17    42     1.40287   131.34772    -2.08750
   47    46 S   HA   _H20    43     1.08502   121.60990    -0.07662
   48    44 S   CT   _C10    53     1.48896   124.13494     5.70729
   49    48 S   HC   _H3_    54     1.09918   103.01467    84.47360
   50    45 S   CT   _C22    82     1.43085   115.48504   179.88131
   51    50 S   HC   _H21    83     1.09253   107.99266  -171.27368
   52    50 S   HC   _H22    84     1.09380   109.84381    70.08261
   53    50 S   HC   _H23    85     1.09435   110.82185   -52.65219
   54    46 S   CA   _C16    44     1.39788   118.02363  -179.93439
   55    54 S   HA   _H19    45     1.08720   119.37612  -179.96044
   56    33 S   CT   _C6_    55     1.60987   114.33837   152.07413
   57    54 S   CA   _C15    46     1.39211   121.07598     0.10835
   58    57 S   HA   _H18    47     1.08684   119.73972   179.94405
   59    56 S   CT   _C7_    56     1.56549   107.21383   -77.29551
   60    59 S   HC   _H11    57     1.09529   111.48349   153.18551
   61    59 S   HC   _H12    58     1.09596   111.02911    36.10319
   62    56 S   CT   _C5_    72     1.57324   111.41493    39.61524
   63    62 S   HC   _H9_    73     1.09670   109.54719   -67.12526
   64    62 S   HC   _H10    74     1.09487   109.63979    49.34579
   65    57 S   CA   _C14    48     1.39858   120.71714     0.07402
   66    65 S   HA   _H17    49     1.08630   119.93211   179.80218
   67    59 S   CT   _C8_    59     1.51954   111.44172   -86.22048
   68    67 S   HC   _H13    60     1.09589   110.37208    58.30835
   69    67 S   HC   _H14    61     1.09627   109.77490   175.42140
   70    62 S   CT   _C4_    75     1.52983   117.11378   171.77894
   71    70 S   HC   _H6_    76     1.09303   112.17567   -66.66020
   72    70 S   HC   _H7_    77     1.09565   109.35932   174.99770
   73    70 S   HC   _H8_    78     1.09238   112.45663    55.90218
   74    43 S   C56B _C13    50     1.40670   106.76877   178.18296
   75    67 S   CT   _C9_    62     1.52624   110.91866   -63.68726
   76    75 S   HC   _H15    63     1.09625   107.18381   160.08858
   77    75 S   HC   _H16    64     1.09715   108.67673   -85.97078
   78    74 S   C5B  _C12    51     1.42243   107.18767     0.27836
   79    48 S   NT   _N4_    65     1.48305   109.81556  -163.18393
   80    79 S   CT   _C24    66     1.48725   111.48154   -47.67386
   81    80 S   HC   _H26    67     1.09865   107.65658   -61.97946
   82    80 S   HC   _H27    68     1.09715   110.14154  -176.33558
   83    78 S   CT   _C23    69     1.48957   132.24200   179.41249
   84    83 S   HC   _H24    70     1.09574   110.32989   -48.31535
   85    83 S   HC   _H25    71     1.09606   108.94182    69.43608
  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  10   5   4   3
  21   8   2   1   1  15   7  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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    56    59    62    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    49    56    59    60    61    67    79    62    63    64    70    41    42    45  
   38    39    40    48    56    59    62    41  
   36    37  
   37  
    0  
   39    40    43    46    74    78    44    48    56    59    62    41    42    45    50  
   40    43    44    56    41    42    45  
   43    46    47    54    65    74    78    44    48    49    56    79    83    41    42    45  
   42    45    50    51    52    53    43    44    56  
   45    50  
   46    47    54    55    57    65    66    74    78    44    48    83  
   48    49    56    59    75    79    80    83    84    85    62    46    65    74    78  
   50    51    52    53  
   47    54    55    57    58    65    74    78  
   54    55    57    74  
   49    56    59    60    61    67    75    76    77    79    80    81    82    83    62    63    64    70    74    78  
   56    59    75    79    80    62    78  
   51    52    53  
   52    53  
   53  
    0  
   55    57    58    65    66    74  
   57    58    65  
   59    60    61    67    68    69    75    79    80    62    63    64    70    71    72    73    78  
   58    65    66    74    78  
   65    66    74  
   60    61    67    68    69    75    76    77    79    62    63    64    70  
   61    67    68    69    75    62  
   67    68    69    75    62  
   63    64    70    71    72    73    67    79  
   64    70    71    72    73  
   70    71    72    73  
   66    74    78    83  
   74    78  
   68    69    75    76    77    79    80  
   69    75    76    77    79  
   75    76    77    79  
   71    72    73  
   72    73  
   73  
    0  
   78    80    83    84    85  
   76    77    79    80    81    82    83  
   77    79    80  
   79    80  
   79    80    81    82    83    84    85  
   80    81    82    83    84    85  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.265000   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   79   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.443
   38    41   317.000  1.522
   40    43   428.000  1.380
   40    44   483.000  1.339
   43    46   469.000  1.400
   43    74   447.000  1.419
   46    47   367.000  1.080
   46    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    66   367.000  1.080
   65    74   469.000  1.404
   74    78   380.000  1.440
   78    44   400.000  1.418
   78    83   295.000  1.494
   44    48   317.000  1.510
   48    49   340.000  1.090
   48    56   268.000  1.529
   48    79   382.000  1.448
   56    59   268.000  1.529
   56    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   382.000  1.448
   79    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  111.19500
   33    38    41    63.00000  111.10000
   33    56    48    58.35000  112.70000
   33    56    59    58.35000  112.70000
   33    56    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  128.16600
   38    40    44    70.00000  114.00000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   40    38    39    50.00000  108.61900
   40    43    46    70.00000  132.80000
   40    43    74    70.00000  104.40000
   40    44    78    75.00000  118.00000
   40    44    48    75.00000  115.74700
   43    46    47    35.00000  120.00000
   43    46    54    85.00000  120.00000
   43    74    65    85.00000  116.20000
   43    74    78    80.00000  107.43600
   46    54    55    35.00000  120.00000
   46    54    57    63.00000  120.00000
   54    46    47    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    65    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    74    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    74    78    50.00000  134.85500
   74    43    46    85.00000  122.70000
   74    65    66    35.00000  120.00000
   74    78    44    75.00000  116.72000
   74    78    83    55.00000  128.73000
   78    44    48    70.00000  120.00000
   78    83    80    70.00000  112.62400
   78    83    84    45.00000  111.11700
   78    83    85    45.00000  111.11700
   44    40    43    70.00000  114.00000
   44    48    49    35.00000  109.50000
   44    48    56    70.00000  112.17500
   44    48    79    75.00000  112.33000
   48    56    59    58.35000  112.70000
   48    56    62    58.35000  112.70000
   48    79    75    51.80000  107.20000
   48    79    80    51.80000  107.20000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    67    58.35000  112.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    70    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    75    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    79    56.20000  109.47000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    79    80    51.80000  107.20000
   77    75    76    33.00000  107.80000
   79    48    49    35.00000  109.50000
   79    48    56    56.20000  109.47000
   79    75    76    35.00000  109.50000
   79    75    77    35.00000  109.50000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    56.20000  109.47000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    78    44    80.00000  105.07000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   62    56    59    58.35000  112.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    70.00000  114.96000
   41    45    50    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    56    48   0.44750  1.0 1.0
   29    33    56    48  -0.17800 -1.0 2.0
   29    33    56    48   0.20200  1.0 3.0
   29    33    56    59   0.44750  1.0 1.0
   29    33    56    59  -0.17800 -1.0 2.0
   29    33    56    59   0.20200  1.0 3.0
   29    33    56    62   0.44750  1.0 1.0
   29    33    56    62  -0.17800 -1.0 2.0
   29    33    56    62   0.20200  1.0 3.0
   33    38    40    43   1.10250  1.0 1.0
   33    38    40    43   0.01650 -1.0 2.0
   33    38    40    43   0.39100  1.0 3.0
   33    38    40    44   1.10250  1.0 1.0
   33    38    40    44   0.01650 -1.0 2.0
   33    38    40    44   0.39100  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    56    59    60   0.15000  1.0 3.0
   33    56    59    61   0.15000  1.0 3.0
   33    56    59    67   0.56750  1.0 1.0
   33    56    59    67  -0.07550 -1.0 2.0
   33    56    59    67   0.20000  1.0 3.0
   33    56    62    63   0.15000  1.0 3.0
   33    56    62    64   0.15000  1.0 3.0
   33    56    62    70   0.56750  1.0 1.0
   33    56    62    70  -0.07550 -1.0 2.0
   33    56    62    70   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    56    48   0.15000  1.0 3.0
   34    33    56    59   0.15000  1.0 3.0
   34    33    56    62   0.15000  1.0 3.0
   38    33    56    48   0.56750  1.0 1.0
   38    33    56    48  -0.07550 -1.0 2.0
   38    33    56    48   0.20000  1.0 3.0
   38    33    56    59   0.56750  1.0 1.0
   38    33    56    59  -0.07550 -1.0 2.0
   38    33    56    59   0.20000  1.0 3.0
   38    33    56    62   0.56750  1.0 1.0
   38    33    56    62  -0.07550 -1.0 2.0
   38    33    56    62   0.20000  1.0 3.0
   38    40    43    46   3.62500 -1.0 2.0
   38    40    43    74   3.62500 -1.0 2.0
   38    40    44    78   3.62500 -1.0 2.0
   38    40   -44    48   3.62500 -1.0 2.0
   38    41    45    50   1.63150  1.0 1.0
   38    41    45    50   2.92000 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    45   0.40000  1.0 3.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    54   3.62500 -1.0 2.0
   40    43    74    65   3.00000 -1.0 2.0
   40    43   -74    78   3.00000 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    56   0.39850  1.0 1.0
   40    44    48    56   0.06450 -1.0 2.0
   40    44    48    56   0.32400  1.0 3.0
   40    44    48    79   0.04300 -1.0 2.0
   43    40   -44    78   3.62500 -1.0 2.0
   43    40    44    48   3.62500 -1.0 2.0
   43    46    54    55   3.62500 -1.0 2.0
   43    46    54    57   3.62500 -1.0 2.0
   43    74   -78    44   3.50000 -1.0 2.0
   43    74    78    83   3.62500 -1.0 2.0
   46    43    74    65   3.00000 -1.0 2.0
   46    43    74    78   3.00000 -1.0 2.0
   46    54    57    58   3.62500 -1.0 2.0
   46    54   -57    65   3.62500 -1.0 2.0
   47    46    54    55   3.62500 -1.0 2.0
   47    46    54    57   3.62500 -1.0 2.0
   54    57    65    66   3.62500 -1.0 2.0
   54    57    65    74   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    65   3.62500 -1.0 2.0
   57    65   -74    43   3.50000 -1.0 2.0
   57    65    74    78   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   58    57    65    74   3.62500 -1.0 2.0
   65    74    78    44   3.62500 -1.0 2.0
   65    74    78    83   3.62500 -1.0 2.0
   66    65    74    43   3.50000 -1.0 2.0
   66    65    74    78   3.62500 -1.0 2.0
   74    43    46    47   3.62500 -1.0 2.0
   74    43   -46    54   3.62500 -1.0 2.0
   74    78   -44    40   3.62500 -1.0 2.0
   74    78    44    48   3.62500 -1.0 2.0
   74    78    83    80   0.04150 -1.0 2.0
   74    78    83    84   0.00000  1.0 1.0
   74    78    83    85   0.00000  1.0 1.0
   78    44    48    49   0.00000  1.0 1.0
   78    44    48    56   0.04150 -1.0 2.0
   78    44    48    79   0.18550 -1.0 2.0
   78    44    48    79   0.14000  1.0 3.0
   44    40    43    46   3.62500 -1.0 2.0
   44    40   -43    74   3.62500 -1.0 2.0
   44    78    83    80   0.04150 -1.0 2.0
   44    78    83    84   0.00000  1.0 1.0
   44    78    83    85   0.00000  1.0 1.0
   44    48   -56    33  -0.03700  1.0 1.0
   44    48   -56    33   0.37200 -1.0 2.0
   44    48   -56    33  -0.47300  1.0 3.0
   44    48    56    59  -0.03700  1.0 1.0
   44    48    56    59   0.37200 -1.0 2.0
   44    48    56    59  -0.47300  1.0 3.0
   44    48    56    62  -0.03700  1.0 1.0
   44    48    56    62   0.37200 -1.0 2.0
   44    48    56    62  -0.47300  1.0 3.0
   44    48    79    75   0.82600  1.0 1.0
   44    48    79    75  -0.32100 -1.0 2.0
   44    48    79    75   1.02000  1.0 3.0
   44    48   -79    80   0.82600  1.0 1.0
   44    48   -79    80  -0.32100 -1.0 2.0
   44    48   -79    80   1.02000  1.0 3.0
   48    56    59    60   0.15000  1.0 3.0
   48    56    59    61   0.15000  1.0 3.0
   48    56    59    67   0.56750  1.0 1.0
   48    56    59    67  -0.07550 -1.0 2.0
   48    56    59    67   0.20000  1.0 3.0
   48    56    62    63   0.15000  1.0 3.0
   48    56    62    64   0.15000  1.0 3.0
   48    56    62    70   0.56750  1.0 1.0
   48    56    62    70  -0.07550 -1.0 2.0
   48    56    62    70   0.20000  1.0 3.0
   48    79    80    81   0.28000  1.0 3.0
   48    79    80    82   0.28000  1.0 3.0
   48    79    80    83   0.23450  1.0 1.0
   48    79    80    83   0.02050 -1.0 2.0
   48    79    80    83   0.25250  1.0 3.0
   49    48    56    33   0.15000  1.0 3.0
   49    48    56    59   0.15000  1.0 3.0
   49    48    56    62   0.15000  1.0 3.0
   49    48    79    75   0.28000  1.0 3.0
   49    48    79    80   0.28000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40  -0.64600  1.0 1.0
   56    33   -38    40   0.58400 -1.0 2.0
   56    33    38    41  -0.95700  1.0 1.0
   56    33    38    41  -0.18200 -1.0 2.0
   56    33    38    41   0.29450  1.0 3.0
   56    48    79    75   0.23450  1.0 1.0
   56    48    79    75   0.02050 -1.0 2.0
   56    48    79    75   0.25250  1.0 3.0
   56    48    79    80   0.23450  1.0 1.0
   56    48    79    80   0.02050 -1.0 2.0
   56    48    79    80   0.25250  1.0 3.0
   56    59    67    68   0.15000  1.0 3.0
   56    59    67    69   0.15000  1.0 3.0
   56    59   -67    75   0.56750  1.0 1.0
   56    59   -67    75  -0.07550 -1.0 2.0
   56    59   -67    75   0.20000  1.0 3.0
   56    62    70    71   0.15000  1.0 3.0
   56    62    70    72   0.15000  1.0 3.0
   56    62    70    73   0.15000  1.0 3.0
   59    56    62    63   0.15000  1.0 3.0
   59    56    62    64   0.15000  1.0 3.0
   59    56    62    70   0.56750  1.0 1.0
   59    56    62    70  -0.07550 -1.0 2.0
   59    56    62    70   0.20000  1.0 3.0
   59    67    75    76   0.15000  1.0 3.0
   59    67    75    77   0.15000  1.0 3.0
   59    67    75    79   1.53400  1.0 1.0
   59    67    75    79  -0.09950 -1.0 2.0
   59    67    75    79   0.05700  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    75   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    75   0.15000  1.0 3.0
   67    75   -79    48   0.23450  1.0 1.0
   67    75   -79    48   0.02050 -1.0 2.0
   67    75   -79    48   0.25250  1.0 3.0
   67    75    79    80   0.23450  1.0 1.0
   67    75    79    80   0.02050 -1.0 2.0
   67    75    79    80   0.25250  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    79   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    79   0.15000  1.0 3.0
   75    79    80    81   0.28000  1.0 3.0
   75    79    80    82   0.28000  1.0 3.0
   75    79    80    83   0.23450  1.0 1.0
   75    79    80    83   0.02050 -1.0 2.0
   75    79    80    83   0.25250  1.0 3.0
   76    75    79    48   0.28000  1.0 3.0
   76    75    79    80   0.28000  1.0 3.0
   77    75    79    48   0.28000  1.0 3.0
   77    75    79    80   0.28000  1.0 3.0
   79    48    56    33   1.53400  1.0 1.0
   79    48    56    33  -0.09950 -1.0 2.0
   79    48    56    33   0.05700  1.0 3.0
   79    48   -56    59   1.53400  1.0 1.0
   79    48   -56    59  -0.09950 -1.0 2.0
   79    48   -56    59   0.05700  1.0 3.0
   79    48    56    62   1.53400  1.0 1.0
   79    48    56    62  -0.09950 -1.0 2.0
   79    48    56    62   0.05700  1.0 3.0
   79    80   -83    78   0.83750  1.0 1.0
   79    80   -83    78   0.32200 -1.0 2.0
   79    80   -83    78   0.70600  1.0 3.0
   79    80    83    84   0.15000  1.0 3.0
   79    80    83    85   0.15000  1.0 3.0
   81    80    83    78   0.43200  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   82    80    83    78   0.43200  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   83    78    44    40   3.62500 -1.0 2.0
   83    78   -44    48   3.62500 -1.0 2.0
   62    56    59    60   0.15000  1.0 3.0
   62    56    59    61   0.15000  1.0 3.0
   62    56    59    67   0.56750  1.0 1.0
   62    56    59    67  -0.07550 -1.0 2.0
   62    56    59    67   0.20000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    73   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    73   0.15000  1.0 3.0
   41    38    40    43   0.68100  1.0 1.0
   41    38    40    43   0.03350 -1.0 2.0
   41    38    40    43   0.36200  1.0 3.0
   41    38    40    44   0.68100  1.0 1.0
   41    38    40    44   0.03350 -1.0 2.0
   41    38    40    44   0.36200  1.0 3.0
   41    45    50    51   0.08050  1.0 3.0
   41    45    50    52   0.08050  1.0 3.0
   41    45    50    53   0.08050  1.0 3.0
   42    41    45    50   3.00000 -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
   43    44    40    38   4.00000 -1.0 2.0
   46    74    43    40   4.00000 -1.0 2.0
   54    47    46    43   1.10000 -1.0 2.0
   57    55    54    46   1.10000 -1.0 2.0
   65    58    57    54   1.10000 -1.0 2.0
   74    66    65    57   1.10000 -1.0 2.0
   65    78    74    43   4.00000 -1.0 2.0
   44    83    78    74   4.00000 -1.0 2.0
   78    48    44    40   4.00000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
