* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    169    275     510
    1     0 S   NP   _N1_     1    29.24023    95.63969   -18.33703
    2     1 S   H    _HN1     2     1.02840    47.82108   135.58226
    3     1 S   H    _H1_     3     1.02783    71.23109   -86.20945
    4     1 S   H    _H2_     4     1.02962    90.65765    22.94771
    5     1 S   CT   _CA1     5     1.50114   155.00758   171.22663
    6     5 S   HC   _HA1     6     1.09573   105.26037    31.65817
    7     5 S   CO3  _C1_     7     1.53797   112.39081   -88.65147
    8     7 S   O2Z  _O11     8     1.26361   114.99180   -43.49035
    9     7 S   O2Z  _O12     9     1.26233   114.93539   135.76945
   10     5 S   CT   _CB1    10     1.53090   107.44506   149.66151
   11    10 S   HC   HB11    11     1.09823   109.39505   -50.05849
   12    10 S   HC   HB12    12     1.09828   110.39110    66.50430
   13    10 S   CT   _CG1    13     1.53018   112.66589  -171.15578
   14    13 S   HC   HG11    14     1.09570   110.44942   -61.61291
   15    13 S   HC   HG12    15     1.09643   110.06378    57.52667
   16    13 S   C    _CD1    16     1.51824   112.20407   177.67830
   17    16 S   O    _OE1    17     1.22723   123.19686    -8.34901
   18    16 S   N    _N2_    18     1.38607   111.70133   172.23057
   19    18 S   H    _HN2    19     1.01594   119.04076     0.75251
   20    18 S   CT1  _CA2    20     1.46181   123.35985   179.27692
   21    20 S   HC   _HA2    21     1.09737   109.38266   -10.59078
   22    20 S   C    _C2_    22     1.53473   108.25681  -126.08969
   23    22 S   O    _O2_    23     1.23015   122.24406  -145.67210
   24    20 S   CT   _CB2    32     1.53359   111.58542   111.59014
   25    24 S   HC   HB21    33     1.09500   109.95625    56.18999
   26    24 S   HC   HB22    34     1.09529   110.37124   174.12911
   27    22 S   N    _N3_    24     1.38512   113.39054    41.67983
   28    27 S   H    _HN3    25     1.01520   118.93261    -0.56821
   29    24 S   S    _SG2    35     1.83000   111.89810   -67.35443
   30    27 S   CT   _CA3    26     1.45462   123.49742   175.11336
   31    30 S   HC   HA31    27     1.09519   109.29826    23.09303
   32    30 S   HC   HA32    28     1.09498   107.10073   140.11483
   33    29 S   CT   _C20    36     1.85814   100.41439   121.75769
   34    33 S   HC   _H7_    37     1.09883   107.69059   -40.56753
   35    30 S   CO3  _C3_    29     1.52929   113.09015  -100.42336
   36    35 S   O2Z  _O31    30     1.26405   115.39766   -44.14443
   37    35 S   O2Z  _O32    31     1.26353   114.98310   136.77897
   38    33 S   CA   _C19    38     1.53357   108.78189  -154.31125
   39    33 S   CT   _C21    64     1.53948   106.88173    73.93645
   40    39 S   HC   _H27    65     1.09565   113.34401    46.36875
   41    39 S   HC   _H28    66     1.09837   109.56911   -70.05558
   42    38 S   CA   _C18    39     1.41529   116.12438    69.72183
   43    42 S   HA   _H26    40     1.08762   120.05280     0.62307
   44    42 S   CA   _C17    41     1.39210   121.94802  -179.30198
   45    44 S   HA   _H25    42     1.08585   120.15451   179.75611
   46    44 S   CA   _C16    43     1.38497   119.52691    -0.33161
   47    46 S   HA   _H24    44     1.08616   120.09031  -180.00000
   48    46 S   CA   _C15    45     1.39481   119.88359    -0.57641
   49    48 S   HA   _H23    46     1.08550   117.01332  -179.08507
   50    38 S   CA   _C14    47     1.41859   125.64258  -111.07272
   51    50 S   CT   _C13    48     1.52018   120.24421    -2.84145
   52    51 S   HC   _H6_    49     1.09484   104.48905    55.44790
   53    51 S   CT   _C12    50     1.54677   119.20237   169.40235
   54    53 S   HC   _H21    51     1.09605   111.33104   -38.05146
   55    53 S   HC   _H22    52     1.09841   107.73106  -152.66040
   56    53 S   CT   _C11    53     1.52883   114.51091    88.04412
   57    56 S   HC   _H19    54     1.09443   109.84022   174.50560
   58    56 S   HC   _H20    55     1.09671   109.49289   -70.23222
   59    56 S   CT   _C10    56     1.54098   111.98959    50.36643
   60    59 S   HC   _H5_    57     1.09713   106.61191  -173.53974
   61    59 S   CT   _C23    58     1.53387   106.62958   -57.96648
   62    61 S   HC   _H29    59     1.09319   111.63255  -175.72809
   63    61 S   HC   _H30    60     1.09789   109.94916   -59.18520
   64    59 S   CT   _C9_    67     1.55794   113.66310    66.99852
   65    64 S   HC   _H4_    68     1.09700   109.00439   -62.99411
   66    51 S   N    _N5_    61     1.47770   108.51642   -60.95857
   67    64 S   CT   _C8_    69     1.53731   113.98835    58.24281
   68    67 S   HC   _H17    70     1.09615   110.52929    57.62899
   69    67 S   HC   _H18    71     1.09498   110.30875   -59.86316
   70    66 S   C    _C22    62     1.39437   122.09292    75.43049
   71    70 S   O    _O33    63     1.23161   124.38210  -177.86009
   72    67 S   CT   _C7_    72     1.52775   112.17977  -179.51989
   73    72 S   HC   _H15    73     1.09591   109.69890  -175.21558
   74    72 S   HC   _H16    74     1.09734   109.05882    68.23435
   75    72 S   CT   _C6_    75     1.52244   112.29396   -52.88259
   76    75 S   HC   _H13    76     1.09605   109.38960   173.59299
   77    75 S   HC   _H14    77     1.09613   109.62812   -70.06268
   78    75 S   CT   _C5_    78     1.52012   111.57319    52.45076
   79    78 S   HC   _H11    79     1.09596   111.36980    63.15495
   80    78 S   HC   _H12    80     1.09496   111.89396  -175.55790
   81    64 S   NP   _N4_    81     1.53492   111.88009  -177.61501
   82    81 S   H    _H3_    82     1.02883   106.18965    62.03946
   83    81 S   CT   _C4_    83     1.50961   116.27807   -54.79307
   84    83 S   HC   _H8_    84     1.09119   109.62360   -57.52831
   85    83 S   HC   _H9_    85     1.09140   108.69519    63.88801
   86    83 S   HC   _H10    86     1.09351   108.02058  -178.18889
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  16   9   4   3   8   4   6   3   5   3   6
   2   9  14   7  11   6   5  12   5   4  16   8   9   4   3  18
   8   2  12   6   5   1   1   9   5   4   8   5   4   8   4   3
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    50    70    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    50    51    66    70    71    39    40    41  
   38    42    50    70    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    48    49    50    51    52    53    66    70    39    40    41  
   40    41    42    50    51    61    66    70    71  
   41    66    70    71  
   66    70    71  
   43    44    45    46    47    48    50    51  
   44    45    46    50  
   45    46    47    48    49    50  
   46    47    48  
   47    48    49    50    51  
   48    49    50  
   49    50    51    52    53    66  
   50    51  
   51    52    53    54    55    56    61    66    70  
   52    53    54    55    56    57    58    59    61    62    63    66    70    71  
   53    54    55    56    61    66    70  
   54    55    56    57    58    59    60    61    66    70    64  
   55    56    57    58    59    66  
   56    57    58    59    66  
   57    58    59    60    61    62    63    66    64    65    67    81  
   58    59    60    61    64  
   59    60    61    64  
   60    61    62    63    66    70    64    65    67    68    69    72    78    81    82    83  
   61    62    63    66    64    65    67    81  
   62    63    66    70    71    64    65    67    81  
   63    66    70    64  
   66    70    64  
   65    67    68    69    72    73    74    75    78    79    80    81    82    83    84    85    86    66  
   67    68    69    72    78    81    82    83  
   70    71  
   68    69    72    73    74    75    76    77    78    81    82    83  
   69    72    73    74    75    81  
   72    73    74    75    81  
   71  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.125000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   82   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    50   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   317.000  1.510
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    66   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   337.000  1.449
   66    70   490.000  1.335
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    81   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   367.000  1.471
   81    82   434.000  1.010
   81    83   367.000  1.471
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    50    70.00000  120.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    63.00000  120.00000
   38    50    48    63.00000  120.00000
   38    50    51    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  120.00000
   50    38    42    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    70.00000  112.17500
   50    51    66    75.00000  111.96400
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    66    61    50.00000  118.00000
   51    66    70    50.00000  121.90000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    66    70.00000  110.72300
   59    64    65    37.50000  110.70000
   59    64    67    58.35000  112.70000
   59    64    81    80.00000  111.20000
   61    59    60    37.50000  110.70000
   61    66    70    50.00000  121.90000
   63    61    62    33.00000  107.80000
   66    51    52    35.00000  109.50000
   66    51    53    70.00000  110.72300
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    70    71    80.00000  122.90000
   66    70    39    70.00000  116.60000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    70    71    80.00000  120.40000
   41    39    40    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    72    58.35000  112.70000
   64    81    78    75.00000  113.01200
   64    81    82    35.00000  109.50000
   64    81    83    75.00000  113.01200
   67    64    65    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    35.00000  109.50000
   78    81    83    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    64    65    35.00000  109.50000
   81    64    67    80.00000  111.20000
   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    35.00000  109.50000
   83    81    82    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    50  -0.16000  1.0 1.0
   29    33    38    50  -0.03200 -1.0 2.0
   29    33    38    50   0.04500  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    44   3.62500 -1.0 2.0
   33    38    50    48   3.62500 -1.0 2.0
   33    38    50    51   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    50   0.00000  1.0 1.0
   34    33    39    70  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    70   0.56750  1.0 1.0
   38    33    39    70  -0.07550 -1.0 2.0
   38    33    39    70   0.20000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    46   3.62500 -1.0 2.0
   38    50    51    52   0.00000  1.0 1.0
   38    50    51    53   0.04150 -1.0 2.0
   38    50    51    66  -0.24500  1.0 1.0
   38    50    51    66   0.48300 -1.0 2.0
   38    50    51    66   0.08900  1.0 3.0
   42    38    50    48   3.62500 -1.0 2.0
   42    38    50    51   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44   -46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48   -50    38   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50    51    52   0.00000  1.0 1.0
   48    50    51    53   0.04150 -1.0 2.0
   48    50    51    66  -0.24500  1.0 1.0
   48    50    51    66   0.48300 -1.0 2.0
   48    50    51    66   0.08900  1.0 3.0
   49    48    50    38   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   50    38    42    43   3.62500 -1.0 2.0
   50    38   -42    44   3.62500 -1.0 2.0
   50    51    53    54   0.43200  1.0 3.0
   50    51    53    55   0.43200  1.0 3.0
   50    51    53    56  -0.03700  1.0 1.0
   50    51    53    56   0.37200 -1.0 2.0
   50    51    53    56  -0.47300  1.0 3.0
   50    51    66    61   0.17850 -1.0 2.0
   50    51    66    70  -0.69800  1.0 1.0
   50    51    66    70  -0.21350 -1.0 2.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53    56    59   0.56750  1.0 1.0
   51    53    56    59  -0.07550 -1.0 2.0
   51    53    56    59   0.20000  1.0 3.0
   51    66    70    71   3.04450 -1.0 2.0
   51    66    70    39   1.49850  1.0 1.0
   51    66    70    39   1.53950 -1.0 2.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    66    61   0.00000  1.0 1.0
   52    51    66    70   0.00000  1.0 1.0
   53    51    66    61  -0.05900 -1.0 2.0
   53    51    66    70  -0.43950  1.0 1.0
   53    51    66    70  -0.08100 -1.0 2.0
   53    51    66    70   0.03350  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56   -59    61   0.56750  1.0 1.0
   53    56   -59    61  -0.07550 -1.0 2.0
   53    56   -59    61   0.20000  1.0 3.0
   53    56    59    64   0.56750  1.0 1.0
   53    56    59    64  -0.07550 -1.0 2.0
   53    56    59    64   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    66   0.43900  1.0 1.0
   56    59    61    66   0.49100 -1.0 2.0
   56    59    61    66   0.28400  1.0 3.0
   56    59    64    65   0.15000  1.0 3.0
   56    59    64    67   0.56750  1.0 1.0
   56    59    64    67  -0.07550 -1.0 2.0
   56    59    64    67   0.20000  1.0 3.0
   56    59    64    81   1.36600  1.0 1.0
   56    59    64    81  -0.11450 -1.0 2.0
   56    59    64    81   0.24250  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    64   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    64   0.15000  1.0 3.0
   59    61   -66    51  -0.05900 -1.0 2.0
   59    61    66    70  -0.43950  1.0 1.0
   59    61    66    70  -0.08100 -1.0 2.0
   59    61    66    70   0.03350  1.0 3.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    72   0.56750  1.0 1.0
   59    64    67    72  -0.07550 -1.0 2.0
   59    64    67    72   0.20000  1.0 3.0
   59    64    81    78   0.47100  1.0 1.0
   59    64    81    82   0.17350  1.0 3.0
   59    64    81    83   0.47100  1.0 1.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    64    81   0.19200  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    67   0.56750  1.0 1.0
   61    59    64    67  -0.07550 -1.0 2.0
   61    59    64    67   0.20000  1.0 3.0
   61    59    64    81   1.36600  1.0 1.0
   61    59    64    81  -0.11450 -1.0 2.0
   61    59    64    81   0.24250  1.0 3.0
   61    66    70    71   3.04450 -1.0 2.0
   61    66    70    39   1.49850  1.0 1.0
   61    66    70    39   1.53950 -1.0 2.0
   62    61    66    51   0.00000  1.0 1.0
   62    61    66    70   0.00000  1.0 1.0
   63    61    66    51   0.00000  1.0 1.0
   63    61    66    70   0.00000  1.0 1.0
   66    51    53    54   0.15000  1.0 3.0
   66    51    53    55   0.15000  1.0 3.0
   66    51   -53    56   0.43900  1.0 1.0
   66    51   -53    56   0.49100 -1.0 2.0
   66    51   -53    56   0.28400  1.0 3.0
   66    70    39    33   1.39750  1.0 1.0
   66    70    39    33  -0.07950 -1.0 2.0
   66    70    39    33  -0.18750  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    41   0.00000  1.0 1.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    41   0.00000  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    50   0.04150 -1.0 2.0
   64    59    61    62   0.15000  1.0 3.0
   64    59    61    63   0.15000  1.0 3.0
   64    59    61    66   0.43900  1.0 1.0
   64    59    61    66   0.49100 -1.0 2.0
   64    59    61    66   0.28400  1.0 3.0
   64    67    72    73   0.15000  1.0 3.0
   64    67    72    74   0.15000  1.0 3.0
   64    67    72    75   0.56750  1.0 1.0
   64    67    72    75  -0.07550 -1.0 2.0
   64    67    72    75   0.20000  1.0 3.0
   64    81    83    84   0.15000  1.0 3.0
   64    81    83    85   0.15000  1.0 3.0
   64    81    83    86   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    72   0.15000  1.0 3.0
   65    64    81    78   0.15000  1.0 3.0
   65    64    81    82   0.13050  1.0 3.0
   65    64    81    83   0.15000  1.0 3.0
   67    64    81    78   0.47100  1.0 1.0
   67    64    81    82   0.17350  1.0 3.0
   67    64    81    83   0.47100  1.0 1.0
   67    72    75    76   0.15000  1.0 3.0
   67    72    75    77   0.15000  1.0 3.0
   67    72   -75    78   0.56750  1.0 1.0
   67    72   -75    78  -0.07550 -1.0 2.0
   67    72   -75    78   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   1.36600  1.0 1.0
   72    75    78    81  -0.11450 -1.0 2.0
   72    75    78    81   0.24250  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78   -81    64   0.47100  1.0 1.0
   75    78    81    82   0.17350  1.0 3.0
   75    78    81    83   0.47100  1.0 1.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.19200  1.0 3.0
   78    81    83    84   0.15000  1.0 3.0
   78    81    83    85   0.15000  1.0 3.0
   78    81    83    86   0.15000  1.0 3.0
   79    78    81    64   0.15000  1.0 3.0
   79    78    81    82   0.13050  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   80    78    81    64   0.15000  1.0 3.0
   80    78    81    82   0.13050  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   81    64    67    68   0.19200  1.0 3.0
   81    64    67    69   0.19200  1.0 3.0
   81    64   -67    72   1.36600  1.0 1.0
   81    64   -67    72  -0.11450 -1.0 2.0
   81    64   -67    72   0.24250  1.0 3.0
   82    81    83    84   0.13050  1.0 3.0
   82    81    83    85   0.13050  1.0 3.0
   82    81    83    86   0.13050  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
   42    50    38    33   4.00000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   48    51    50    38   4.00000 -1.0 2.0
   61    70    66    51   1.00000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
END
