* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    157    258     476
    1     0 S   NP   _N1_     1    29.02686    92.92885   -22.77582
    2     1 S   H    _HN1     2     1.02834   100.82758    -7.46522
    3     1 S   H    _H1_     3     1.02982    25.37226   100.06312
    4     1 S   H    _H2_     4     1.02796    87.27730  -115.52354
    5     1 S   CT   _CA1     5     1.50515   133.30237   126.29972
    6     5 S   HC   _HA1     6     1.09665   104.69075    52.31373
    7     5 S   CO3  _C1_     7     1.54555   110.99546   -63.71316
    8     7 S   O2Z  _O11     8     1.26066   116.72879  -124.30744
    9     7 S   O2Z  _O12     9     1.26558   113.79300    54.53637
   10     5 S   CT   _CB1    10     1.53091   107.06092   168.72310
   11    10 S   HC   HB11    11     1.09825   110.31397   -40.48128
   12    10 S   HC   HB12    12     1.09799   109.82952    76.09870
   13    10 S   CT   _CG1    13     1.53147   112.34642  -161.11164
   14    13 S   HC   HG11    14     1.09512   110.88705   -48.89372
   15    13 S   HC   HG12    15     1.09623   110.01946    69.99979
   16    13 S   C    _CD1    16     1.51681   111.84117  -169.80607
   17    16 S   O    _OE1    17     1.22746   123.08553   -14.51305
   18    16 S   N    _N2_    18     1.38565   111.91940   165.63064
   19    18 S   H    _HN2    19     1.01571   119.23276     4.64228
   20    18 S   CT1  _CA2    20     1.46040   123.13537  -174.55072
   21    20 S   HC   _HA2    21     1.09567   109.15359    -1.72986
   22    20 S   C    _C2_    22     1.53383   109.29928  -117.27771
   23    22 S   O    _O2_    23     1.23049   121.98749  -147.39885
   24    20 S   CT   _CB2    32     1.53552   111.41366   120.04049
   25    24 S   HC   HB21    33     1.09674   109.33721    65.71652
   26    24 S   HC   HB22    34     1.09472   110.97223  -177.32570
   27    22 S   N    _N3_    24     1.38431   113.64752    40.13900
   28    27 S   H    _HN3    25     1.01493   119.02155    -0.49416
   29    24 S   S    _SG2    35     1.83092   114.42981   -53.08975
   30    27 S   CT   _CA3    26     1.45445   123.34506   174.91049
   31    30 S   HC   HA31    27     1.09529   109.15500    26.47420
   32    30 S   HC   HA32    28     1.09493   107.15797   143.47163
   33    29 S   CT   _C18    36     1.84670   100.97639   -72.11820
   34    33 S   HC   _H8_    37     1.09371   108.06046    36.21742
   35    30 S   CO3  _C3_    29     1.52928   113.10952   -96.93300
   36    35 S   O2Z  _O31    30     1.26400   115.39771   -44.91808
   37    35 S   O2Z  _O32    31     1.26353   114.98786   135.98806
   38    33 S   CT   _C17    38     1.53639   109.35057   -81.20676
   39    38 S   HC   _H25    39     1.09721   109.98571   172.48321
   40    38 S   HC   _H26    40     1.09516   111.58068    53.65755
   41    38 S   CO4  _C16    41     1.51782   111.82766   -68.52649
   42    41 S   O    _O33    42     1.23049   121.44819   151.60778
   43    41 S   CT   _C15    43     1.51279   117.18496   -28.63730
   44    43 S   HC   _H23    44     1.09489   108.54521    96.98981
   45    43 S   HC   _H24    45     1.09547   108.64179  -145.46156
   46    43 S   CT   _C14    46     1.52437   109.35014   -25.60345
   47    46 S   HC   _H7_    47     1.09850   107.59725   -64.31311
   48    46 S   CT   _C8_    48     1.50116   114.37027   173.12562
   49    48 S   HC   _H4_    49     1.10561    91.59776   -66.53083
   50    48 S   CT   _C9_    50     1.54185   106.12089   177.17215
   51    50 S   HC   _H17    51     1.09750   114.23588   -20.61706
   52    50 S   HC   _H18    52     1.09552   114.82061  -141.86016
   53    48 S   CT   _C7_    75     1.49350   141.99442    25.68901
   54    53 S   HC   _H15    76     1.09454   113.79360   -43.35273
   55    53 S   HC   _H16    77     1.09277   115.19044    87.05758
   56    50 S   CT   _C10    53     1.49790    97.65875    97.89168
   57    56 S   HC   _H5_    54     1.09565   111.49427  -179.51342
   58    56 S   CT   _C13    55     1.60416   103.54555   -62.81160
   59    58 S   HC   _H21    56     1.09481   107.55210   139.81646
   60    58 S   HC   _H22    57     1.09677   106.53130  -106.09458
   61    56 S   CT   _C11    59     1.59713   106.40034    59.83882
   62    61 S   HC   _H6_    60     1.09687   111.29789  -116.23590
   63    33 S   NT   _N5_    58     1.46630   113.47074   155.04620
   64    61 S   CT   _C12    61     1.53072   112.01216   119.97502
   65    64 S   HC   _H19    62     1.09595   109.75359    58.97795
   66    64 S   HC   _H20    63     1.09728   110.07958   -58.33405
   67    64 S   CT   _C4_    64     1.52831   111.44971  -179.94405
   68    67 S   HC   _H9_    65     1.09653   109.46650   -65.30438
   69    67 S   HC   _H10    66     1.09593   109.51377   177.92510
   70    67 S   CT   _C5_    67     1.52680   112.26477    56.03199
   71    70 S   HC   _H11    68     1.09735   109.13121    68.30235
   72    70 S   HC   _H12    69     1.09588   109.43828  -175.26617
   73    70 S   CT   _C6_    70     1.52264   112.52374   -53.39535
   74    73 S   HC   _H13    71     1.09462   110.69404   173.72555
   75    73 S   HC   _H14    72     1.09489   112.31055   -63.22986
   76    61 S   NP   _N4_    73     1.61977   111.81262     1.54307
   77    76 S   H    _H3_    74     1.02893   105.72162    69.47767
  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  10   5   4   8   4  10   5   4  15   6  15
   9  15   6   5  13   5   4  14   8   7   3   2  14   7   1  11
   6   5   9   5   4   7   5   4   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    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    58    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    56    58    59    60    63  
   38    39    40    41    46    58    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    58    63  
   40    41    42    43    63  
   41    42    43    63  
   42    43    44    45    46    47    48    63  
   43    44    45    46  
   44    45    46    47    48    49    50    58    63    53  
   45    46    47    48    63  
   46    47    48    63  
   47    48    49    50    51    52    56    58    59    60    63    76    53    54    55  
   48    49    50    58    63    53  
   49    50    51    52    56    57    58    63    61    73    76    77    53    54    55  
   50    51    52    56    63    76    53    54    55  
   51    52    56    57    58    59    60    63    61    62    64    76    53    54    55  
   52    56    57    58    61    53  
   56    57    58    61    53  
   54    55    56    61    62    63    64    70    73    74    75    76    77  
   55    61    73    76    77  
   61    73    76    77  
   57    58    59    60    63    61    62    64    65    66    67    73    76    77  
   58    59    60    63    61    62    64    76  
   59    60    63    61    62    64    76  
   60    63    61  
   63    61  
   62    64    65    66    67    68    69    70    73    74    75    76    77    63  
   64    65    66    67    73    76    77  
    0  
   65    66    67    68    69    70    71    72    73    76    77  
   66    67    68    69    70    76  
   67    68    69    70    76  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   77   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
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    63   382.000  1.448
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    63   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   382.000  1.448
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    76   367.000  1.471
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   367.000  1.471
   76    77   434.000  1.010
   76    53   367.000  1.471
   53    54   340.000  1.090
   53    55   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    63    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    63    46    51.80000  107.20000
   33    63    58    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    63    56.20000  109.47000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    63    58    51.80000  107.20000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    56    58.35000  112.70000
   48    53    76    80.00000  111.20000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    56.20000  109.47000
   56    61    62    37.50000  110.70000
   56    61    64    58.35000  112.70000
   56    61    76    80.00000  111.20000
   58    56    57    37.50000  110.70000
   60    58    59    33.00000  107.80000
   63    33    34    35.00000  109.50000
   63    33    38    56.20000  109.47000
   63    46    47    35.00000  109.50000
   63    46    48    56.20000  109.47000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   61    76    73    75.00000  113.01200
   61    76    77    35.00000  109.50000
   61    76    53    75.00000  113.01200
   64    61    62    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    80.00000  111.20000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    35.00000  109.50000
   73    76    53    75.00000  113.01200
   75    73    74    33.00000  107.80000
   76    61    62    35.00000  109.50000
   76    61    64    80.00000  111.20000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    53    54    35.00000  109.50000
   76    53    55    35.00000  109.50000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    76    77    35.00000  109.50000
   55    53    54    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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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   0.15000  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    63    46   0.23200  1.0 1.0
   29    33    63    46   0.02100 -1.0 2.0
   29    33    63    46   0.24950  1.0 3.0
   29    33    63    58   0.23200  1.0 1.0
   29    33    63    58   0.02100 -1.0 2.0
   29    33    63    58   0.24950  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  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    63    46   0.28000  1.0 3.0
   34    33    63    58   0.28000  1.0 3.0
   38    33    63    46   0.23450  1.0 1.0
   38    33    63    46   0.02050 -1.0 2.0
   38    33    63    46   0.25250  1.0 3.0
   38    33    63    58   0.23450  1.0 1.0
   38    33    63    58   0.02050 -1.0 2.0
   38    33    63    58   0.25250  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    63  -3.56550  1.0 1.0
   41    43    46    63  -0.67500 -1.0 2.0
   41    43    46    63   1.11300  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.56750  1.0 1.0
   43    46    48    50  -0.07550 -1.0 2.0
   43    46    48    50   0.20000  1.0 3.0
   43    46    48    53   0.56750  1.0 1.0
   43    46    48    53  -0.07550 -1.0 2.0
   43    46    48    53   0.20000  1.0 3.0
   43    46   -63    33   0.23450  1.0 1.0
   43    46   -63    33   0.02050 -1.0 2.0
   43    46   -63    33   0.25250  1.0 3.0
   43    46    63    58   0.23450  1.0 1.0
   43    46    63    58   0.02050 -1.0 2.0
   43    46    63    58   0.25250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    63   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    63   0.15000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48    50    56   0.56750  1.0 1.0
   46    48    50    56  -0.07550 -1.0 2.0
   46    48    50    56   0.20000  1.0 3.0
   46    48    53    76   1.36600  1.0 1.0
   46    48    53    76  -0.11450 -1.0 2.0
   46    48    53    76   0.24250  1.0 3.0
   46    48    53    54   0.15000  1.0 3.0
   46    48    53    55   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    53   0.15000  1.0 3.0
   47    46    63    33   0.28000  1.0 3.0
   47    46    63    58   0.28000  1.0 3.0
   48    46    63    33   0.23450  1.0 1.0
   48    46    63    33   0.02050 -1.0 2.0
   48    46    63    33   0.25250  1.0 3.0
   48    46    63    58   0.23450  1.0 1.0
   48    46    63    58   0.02050 -1.0 2.0
   48    46    63    58   0.25250  1.0 3.0
   48    50    56    57   0.15000  1.0 3.0
   48    50   -56    58   0.56750  1.0 1.0
   48    50   -56    58  -0.07550 -1.0 2.0
   48    50   -56    58   0.20000  1.0 3.0
   48    50    56    61   0.56750  1.0 1.0
   48    50    56    61  -0.07550 -1.0 2.0
   48    50    56    61   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    56   0.15000  1.0 3.0
   49    48    53    76   0.19200  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   50    48    53    76   1.36600  1.0 1.0
   50    48    53    76  -0.11450 -1.0 2.0
   50    48    53    76   0.24250  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    56    58    59   0.15000  1.0 3.0
   50    56    58    60   0.15000  1.0 3.0
   50    56    58    63   1.53400  1.0 1.0
   50    56    58    63  -0.09950 -1.0 2.0
   50    56    58    63   0.05700  1.0 3.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    64   0.56750  1.0 1.0
   50    56    61    64  -0.07550 -1.0 2.0
   50    56    61    64   0.20000  1.0 3.0
   50    56   -61    76   1.36600  1.0 1.0
   50    56   -61    76  -0.11450 -1.0 2.0
   50    56   -61    76   0.24250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    61   0.15000  1.0 3.0
   56    58    63    33   0.23450  1.0 1.0
   56    58    63    33   0.02050 -1.0 2.0
   56    58    63    33   0.25250  1.0 3.0
   56    58   -63    46   0.23450  1.0 1.0
   56    58   -63    46   0.02050 -1.0 2.0
   56    58   -63    46   0.25250  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    67   0.56750  1.0 1.0
   56    61    64    67  -0.07550 -1.0 2.0
   56    61    64    67   0.20000  1.0 3.0
   56    61    76    73   0.47100  1.0 1.0
   56    61    76    77   0.17350  1.0 3.0
   56    61    76    53   0.47100  1.0 1.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   57    56    61    76   0.19200  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    64   0.56750  1.0 1.0
   58    56    61    64  -0.07550 -1.0 2.0
   58    56    61    64   0.20000  1.0 3.0
   58    56    61    76   1.36600  1.0 1.0
   58    56    61    76  -0.11450 -1.0 2.0
   58    56    61    76   0.24250  1.0 3.0
   59    58    63    33   0.28000  1.0 3.0
   59    58    63    46   0.28000  1.0 3.0
   60    58    63    33   0.28000  1.0 3.0
   60    58    63    46   0.28000  1.0 3.0
   63    33    38    39   0.15000  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33   -38    41  -3.56550  1.0 1.0
   63    33   -38    41  -0.67500 -1.0 2.0
   63    33   -38    41   1.11300  1.0 3.0
   63    46    48    49   0.15000  1.0 3.0
   63    46   -48    50   1.53400  1.0 1.0
   63    46   -48    50  -0.09950 -1.0 2.0
   63    46   -48    50   0.05700  1.0 3.0
   63    46    48    53   1.53400  1.0 1.0
   63    46    48    53  -0.09950 -1.0 2.0
   63    46    48    53   0.05700  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    63   1.53400  1.0 1.0
   61    56    58    63  -0.09950 -1.0 2.0
   61    56    58    63   0.05700  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    76   -53    48   0.47100  1.0 1.0
   61    76    53    54   0.15000  1.0 3.0
   61    76    53    55   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    76    73   0.15000  1.0 3.0
   62    61    76    77   0.13050  1.0 3.0
   62    61    76    53   0.15000  1.0 3.0
   64    61    76    73   0.47100  1.0 1.0
   64    61    76    77   0.17350  1.0 3.0
   64    61    76    53   0.47100  1.0 1.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67   -70    73   0.56750  1.0 1.0
   64    67   -70    73  -0.07550 -1.0 2.0
   64    67   -70    73   0.20000  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    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   1.36600  1.0 1.0
   67    70    73    76  -0.11450 -1.0 2.0
   67    70    73    76   0.24250  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73   -76    61   0.47100  1.0 1.0
   70    73    76    77   0.17350  1.0 3.0
   70    73    76    53   0.47100  1.0 1.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.19200  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.19200  1.0 3.0
   73    76    53    48   0.47100  1.0 1.0
   73    76    53    54   0.15000  1.0 3.0
   73    76    53    55   0.15000  1.0 3.0
   74    73    76    61   0.15000  1.0 3.0
   74    73    76    77   0.13050  1.0 3.0
   74    73    76    53   0.15000  1.0 3.0
   75    73    76    61   0.15000  1.0 3.0
   75    73    76    77   0.13050  1.0 3.0
   75    73    76    53   0.15000  1.0 3.0
   76    61    64    65   0.19200  1.0 3.0
   76    61    64    66   0.19200  1.0 3.0
   76    61   -64    67   1.36600  1.0 1.0
   76    61   -64    67  -0.11450 -1.0 2.0
   76    61   -64    67   0.24250  1.0 3.0
   77    76    53    48   0.17350  1.0 3.0
   77    76    53    54   0.13050  1.0 3.0
   77    76    53    55   0.13050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48   -50    56   0.56750  1.0 1.0
   53    48   -50    56  -0.07550 -1.0 2.0
   53    48   -50    56   0.20000  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
   38    43    41    42  10.50000 -1.0 2.0
END
