* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    230     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   104.53956   -34.17229
    3     1 S   H    _H1_     3     1.02116    68.30252    70.54097
    4     1 S   H    _H2_     4     1.02071    44.65417  -136.16186
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.85537    97.08452  -158.11805
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C9_    37     1.55412   109.12733   -40.03744
   38    37 S   HC   _H26    38     1.09575   109.25426   177.36121
   39    37 S   HC   _H27    39     1.10135   107.52069    64.72532
   40    33 S   CT   _C13    54     1.55786   107.74976  -165.47044
   41    40 S   HC   _H32    55     1.09270   110.71483    52.07541
   42    33 S   CT   _C18    73     1.54623   105.45656    75.99043
   43    42 S   HC   _H39    74     1.08212   108.85452    63.37369
   44    42 S   HC   _H40    75     1.08206   108.84731   -56.70162
   45    42 S   HC   _H41    76     1.08324   108.80183  -176.64071
   46    37 S   CT   _C8_    40     1.53647   119.85228   -55.81638
   47    46 S   HC   _H24    41     1.09434   111.67928    50.53140
   48    46 S   HC   _H25    42     1.09722   105.87809   164.93294
   49    40 S   OH   _O16    56     1.44040   109.40263   -62.77984
   50    49 S   HO   _H42    57     0.96582   105.68609   174.94301
   51    46 S   C4T  _C12    43     1.52214   113.78221   -74.55534
   52    51 S   HC   _H31    44     1.09349   111.30780    74.49391
   53    51 S   C4T  _C11    45     1.55955   117.52520   -60.86928
   54    53 S   HC   _H30    46     1.10205   111.21443   -30.48238
   55    51 S   C4T  _C14    64     1.55631   114.89859  -160.27333
   56    53 S   CM   _C4_    47     1.49175   119.36224   100.21339
   57    53 S   C4T  _C10    61     1.55207    86.68531  -142.59619
   58    57 S   HC   _H28    62     1.09390   115.33641   144.48624
   59    57 S   HC   _H29    63     1.09817   114.49416   -89.00434
   60    55 S   CT   _C16    65     1.51606   118.89961    31.42185
   61    60 S   HC   _H33    66     1.09226   110.32309   -80.67293
   62    60 S   HC   _H34    67     1.09235   110.33832   159.41051
   63    60 S   HC   _H35    68     1.09255   110.38381    39.36815
   64    55 S   CT   _C17    69     1.51355   113.51631  -100.53162
   65    64 S   HC   _H36    70     1.09424   110.49102    82.64680
   66    64 S   HC   _H37    71     1.09332   110.52249   -37.30814
   67    64 S   HC   _H38    72     1.09314   110.48263  -157.37984
   68    56 S   CT   _C6_    48     1.50735   122.00522    13.39770
   69    68 S   HC   _H20    49     1.09514   111.00674    40.57219
   70    68 S   HC   _H21    50     1.10000   107.80425   153.93195
   71    56 S   CM   _C5_    58     1.34496   116.88695  -169.38778
   72    71 S   HC   _H18    59     1.07900   120.27439     2.79309
   73    71 S   HC   _H19    60     1.07863   120.27906  -177.14076
   74    68 S   CT   _C7_    51     1.53861   114.15891   -87.28459
   75    74 S   HC   _H22    52     1.09944   106.54021  -139.53933
   76    74 S   HC   _H23    53     1.09500   109.96251   -26.36291
  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  13   5   4   3
  19   2   1   1  17   7   6  15   7   6   2   1   1  11   5   4
   5   1  18   7  15   7  12  12  12   3   2   7   3   2   1   3
   2   1   1   8   5   4   3   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    74    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    68    74    75    76    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    74    40    41    49    55    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    56    68    69    70    74    75    76  
   49    50    42    68    74    75    76  
   43    44    45    46    49    74  
   44    45  
   45  
    0  
   47    48    51    52    53    54    56    57    55    60    64  
   48    51    52    53    55  
   51    52    53    55  
   50    68    74    75    76  
   74  
   52    53    54    56    68    71    57    58    59    55    60    61    62    63    64    65    66    67  
   53    54    56    57    55    60    64  
   54    56    68    69    70    74    71    72    73    57    58    59    55    60    64  
   56    68    71    57    58    59    55  
   60    61    62    63    64    65    66    67    56    57    58    59  
   68    69    70    74    75    76    71    72    73    57    58    59  
   58    59    60    61    62    63    64    65    66    67    68    71  
   59    60    64  
   60    64  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    74    75    76    71    72    73  
   70    74    75    76    71  
   74    75    76    71  
   72    73    74  
   73  
    0  
   75    76  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   260.000  1.519
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    56   317.000  1.510
   53    57   268.000  1.529
   56    68   317.000  1.510
   56    71   549.000  1.340
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   71    72   340.000  1.080
   71    73   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    55   268.000  1.529
   55    60   260.000  1.519
   55    64   260.000  1.519
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.98000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    45.00000  112.72800
   46    51    53    65.00000  119.52000
   46    51    55    65.00000  119.52000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  111.22300
   51    46    48    45.00000  111.22300
   51    53    54    37.50000  110.70000
   51    53    56    70.00000  112.02700
   51    53    57    63.00000   92.00000
   51    55    57    63.00000   92.00000
   51    55    60    65.00000  119.52000
   51    55    64    65.00000  119.52000
   53    51    52    37.50000  110.70000
   53    56    68    65.00000  117.92700
   53    56    71    70.00000  124.00000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    55    63.00000   92.00000
   56    53    54    35.00000  109.50000
   56    68    69    35.00000  109.50000
   56    68    70    35.00000  109.50000
   56    68    74    70.00000  112.02700
   56    71    72    35.00000  120.00000
   56    71    73    35.00000  120.00000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    40    41    37.50000  110.70000
   74    40    49    50.00000  109.50000
   76    74    75    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    74    76    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   71    56    68    70.00000  124.00000
   73    71    72    35.00000  117.00000
   57    53    54    37.50000  110.70000
   57    53    56    70.00000  112.02700
   57    55    60    65.00000  119.52000
   57    55    64    65.00000  119.52000
   59    57    58    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000   92.00000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    60    61    45.00000  111.22300
   55    60    62    45.00000  111.22300
   55    60    63    45.00000  111.22300
   55    64    65    45.00000  111.22300
   55    64    66    45.00000  111.22300
   55    64    67    45.00000  111.22300
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.31550 -1.0 2.0
   33    37    46    51   0.11250  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.04050  1.0 1.0
   37    46    51    53   0.63700 -1.0 2.0
   37    46    51    53   0.17650  1.0 3.0
   37    46    51    55   0.04050  1.0 1.0
   37    46    51    55   0.63700 -1.0 2.0
   37    46    51    55   0.17650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    56   0.34400  1.0 1.0
   46    51    53    56   0.09450 -1.0 2.0
   46    51    53    56   0.11100  1.0 3.0
   46    51    53    57  -0.70950  1.0 1.0
   46    51    53    57   0.38400 -1.0 2.0
   46    51   -55    57  -0.70950  1.0 1.0
   46    51   -55    57   0.38400 -1.0 2.0
   46    51    55    60   0.56750  1.0 1.0
   46    51    55    60  -0.07550 -1.0 2.0
   46    51    55    60   0.20000  1.0 3.0
   46    51    55    64   0.56750  1.0 1.0
   46    51    55    64  -0.07550 -1.0 2.0
   46    51    55    64   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    55   0.00000  1.0 1.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   48    46    51    55   0.00000  1.0 1.0
   51    53    56    68   0.46850  1.0 1.0
   51    53    56    68   0.08550 -1.0 2.0
   51    53    56    68   0.09800  1.0 3.0
   51    53    56    71   0.09850  1.0 1.0
   51    53    56    71   0.15250 -1.0 2.0
   51    53    56    71  -0.50650  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    59   0.15000  1.0 3.0
   51    53   -57    55   0.00000  1.0 1.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    62   0.00000  1.0 1.0
   51    55    60    63   0.00000  1.0 1.0
   51    55    64    65   0.00000  1.0 1.0
   51    55    64    66   0.00000  1.0 1.0
   51    55    64    67   0.00000  1.0 1.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51   -55    57   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    64   0.15000  1.0 3.0
   53    51   -55    57   0.00000  1.0 1.0
   53    51    55    60  -0.70950  1.0 1.0
   53    51    55    60   0.38400 -1.0 2.0
   53    51    55    64  -0.70950  1.0 1.0
   53    51    55    64   0.38400 -1.0 2.0
   53    56    68    69   0.34800  1.0 3.0
   53    56    68    70   0.34800  1.0 3.0
   53    56    68    74   0.46850  1.0 1.0
   53    56    68    74   0.08550 -1.0 2.0
   53    56    68    74   0.09800  1.0 3.0
   53    56    71    72   7.00000 -1.0 2.0
   53    56    71    73   7.00000 -1.0 2.0
   53    57   -55    51   0.00000  1.0 1.0
   53    57   -55    60  -0.70950  1.0 1.0
   53    57   -55    60   0.38400 -1.0 2.0
   53    57   -55    64  -0.70950  1.0 1.0
   53    57   -55    64   0.38400 -1.0 2.0
   54    53    56    68   0.34800  1.0 3.0
   54    53    56    71   0.00000  1.0 1.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    55   0.15000  1.0 3.0
   56    53    57    58   0.15000  1.0 3.0
   56    53    57    59   0.15000  1.0 3.0
   56    53    57    55   0.34400  1.0 1.0
   56    53    57    55   0.09450 -1.0 2.0
   56    53    57    55   0.11100  1.0 3.0
   56    68    74    75   0.15000  1.0 3.0
   56    68    74    76   0.15000  1.0 3.0
   56    68    74    40   0.34400  1.0 1.0
   56    68    74    40   0.09450 -1.0 2.0
   56    68    74    40   0.11100  1.0 3.0
   68    56    71    72   7.00000 -1.0 2.0
   68    56    71    73   7.00000 -1.0 2.0
   68    74    40    33   0.56750  1.0 1.0
   68    74    40    33  -0.07550 -1.0 2.0
   68    74    40    33   0.20000  1.0 3.0
   68    74    40    41   0.15000  1.0 3.0
   68    74    40    49   0.86500  1.0 1.0
   68    74    40    49  -0.17500 -1.0 2.0
   68    74    40    49   0.20800  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    40   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    40   0.15000  1.0 3.0
   74    40    49    50  -0.11600  1.0 1.0
   74    40    49    50  -0.09450 -1.0 2.0
   74    40    49    50   0.21250  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    49   0.23400  1.0 3.0
   76    74    40    33   0.15000  1.0 3.0
   76    74    40    41   0.15000  1.0 3.0
   76    74    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   71    56    68    69   0.00000  1.0 1.0
   71    56    68    70   0.00000  1.0 1.0
   71    56    68    74   0.09850  1.0 1.0
   71    56    68    74   0.15250 -1.0 2.0
   71    56    68    74  -0.50650  1.0 3.0
   57    53    56    68   0.46850  1.0 1.0
   57    53    56    68   0.08550 -1.0 2.0
   57    53    56    68   0.09800  1.0 3.0
   57    53    56    71   0.09850  1.0 1.0
   57    53    56    71   0.15250 -1.0 2.0
   57    53    56    71  -0.50650  1.0 3.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    63   0.00000  1.0 1.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    67   0.00000  1.0 1.0
   58    57   -55    51   0.15000  1.0 3.0
   58    57    55    60   0.15000  1.0 3.0
   58    57    55    64   0.15000  1.0 3.0
   59    57   -55    51   0.15000  1.0 3.0
   59    57    55    60   0.15000  1.0 3.0
   59    57    55    64   0.15000  1.0 3.0
   55    51   -53    54   0.15000  1.0 3.0
   55    51   -53    56   0.34400  1.0 1.0
   55    51   -53    56   0.09450 -1.0 2.0
   55    51   -53    56   0.11100  1.0 3.0
   55    51   -53    57   0.00000  1.0 1.0
   60    55    64    65   0.15000  1.0 3.0
   60    55    64    66   0.15000  1.0 3.0
   60    55    64    67   0.15000  1.0 3.0
   64    55    60    61   0.15000  1.0 3.0
   64    55    60    62   0.15000  1.0 3.0
   64    55    60    63   0.15000  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    74   0.56750  1.0 1.0
   42    33    40    74  -0.07550 -1.0 2.0
   42    33    40    74   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   53    68    56    71   1.10000 -1.0 2.0
   72    73    71    56   1.10000 -1.0 2.0
END
