* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    234     468
    1     0 S   NP   _N1_     1    28.58905    96.71778   -20.49136
    2     1 S   H    _HN1     2     1.02790    92.31271   -98.96332
    3     1 S   H    _H1_     3     1.02949    75.00748     9.40548
    4     1 S   H    _H2_     4     1.02831    42.79371   146.94257
    5     1 S   CT   _CA1     5     1.50115   150.36150   114.48607
    6     5 S   HC   _HA1     6     1.09579   105.17957    82.26205
    7     5 S   CO3  _C1_     7     1.53797   112.33847   -37.87445
    8     7 S   O2Z  _O11     8     1.26364   115.00738   -45.69771
    9     7 S   O2Z  _O12     9     1.26229   114.93148   133.20945
   10     5 S   CT   _CB1    10     1.53074   107.38640  -159.89925
   11    10 S   HC   HB11    11     1.09831   109.36506   -50.35286
   12    10 S   HC   HB12    12     1.09808   110.49412    66.27416
   13    10 S   CT   _CG1    13     1.52942   112.52836  -171.32665
   14    13 S   HC   HG11    14     1.09566   110.48722   -66.20038
   15    13 S   HC   HG12    15     1.09667   109.82649    52.98572
   16    13 S   C    _CD1    16     1.51803   112.26237   173.61865
   17    16 S   O    _OE1    17     1.22729   123.28132     8.46916
   18    16 S   N    _N2_    18     1.38578   111.62576  -171.75443
   19    18 S   H    _HN2    19     1.01581   118.95036     2.11831
   20    18 S   CT1  _CA2    20     1.46305   123.62846   179.10979
   21    20 S   HC   _HA2    21     1.09723   109.37272     4.41095
   22    20 S   C    _C2_    22     1.53596   108.96526  -111.33004
   23    22 S   O    _O2_    23     1.23078   122.25147  -150.81631
   24    20 S   CT   _CB2    32     1.53372   111.14390   126.47145
   25    24 S   HC   HB21    33     1.09246   108.87663    55.24908
   26    24 S   HC   HB22    34     1.09433   110.39275   174.38396
   27    22 S   N    _N3_    24     1.38312   113.82903    36.70848
   28    27 S   H    _HN3    25     1.01567   119.51775    -3.56172
   29    24 S   S    _SG2    35     1.82598   111.10944   -65.41853
   30    27 S   CT   _CA3    26     1.45272   123.26313   177.18694
   31    30 S   HC   HA31    27     1.09548   107.50888   -64.81586
   32    30 S   HC   HA32    28     1.09556   107.99888    51.63786
   33    29 S   CT   _C14    36     1.85986   101.78821   169.87177
   34    33 S   OM   _O34    37     1.32167   108.19277   179.08272
   35    30 S   CO3  _C3_    29     1.52964   114.04566   173.62403
   36    35 S   O2Z  _O31    30     1.26380   116.05889    -0.87626
   37    35 S   O2Z  _O32    31     1.26425   114.41826   179.19303
   38    33 S   CM   _C13    38     1.53728   109.73114    62.30686
   39    38 S   CM   _C12    39     1.35588   120.87309  -117.14732
   40    38 S   CT   _C15    77     1.53738   118.01499    61.60671
   41    40 S   HC   _H12    78     1.09451   108.35820  -129.77720
   42    40 S   HC   _H13    79     1.09602   111.02195   -15.87342
   43    39 S   CT   _C11    40     1.52983   124.84560     1.42354
   44    39 S   OH   _O35    75     1.38957   122.14652  -177.07946
   45    44 S   HO   _H21    76     0.96778   109.85172     5.21782
   46    40 S   CM   _C16    80     1.50863   112.98372   104.59134
   47    46 S   HC   _H14    81     1.08992   114.18134   -53.93107
   48    43 S   CMA  _C10    41     1.56510   114.06231   -10.40218
   49    48 S   OM   _O33    42     1.27005   111.39647  -169.18484
   50    43 S   CT   _C20    59     1.57287   111.24506   114.22820
   51    50 S   HC   _H22    60     1.09635   110.24672   179.30451
   52    50 S   HC   _H23    61     1.09654   109.47236   -65.94149
   53    43 S   OH   _O36    73     1.44596   105.94217  -129.03886
   54    53 S   HO   _H31    74     0.97366   106.13349   157.13049
   55    46 S   CM   _C17    82     1.34741   128.28549   126.87214
   56    33 S   CM   _C9_    43     1.52551   110.27847   -63.91873
   57    50 S   CM   _C21    62     1.50999   117.04204    55.60406
   58    57 S   HC   _H24    63     1.08925   114.13294   -84.23045
   59    55 S   CT   _C18    83     1.50632   120.24239  -179.73239
   60    59 S   HC   _H15    84     1.09500   110.20505   120.52449
   61    59 S   HC   _H16    85     1.09511   112.47281     0.46562
   62    59 S   HC   _H17    86     1.09496   110.25945  -119.67441
   63    55 S   CT   _C19    87     1.50249   125.58372     0.45284
   64    63 S   HC   _H18    88     1.09530   110.03213   123.30354
   65    63 S   HC   _H19    89     1.09507   110.01088  -117.47279
   66    63 S   HC   _H20    90     1.09141   113.75709     3.21765
   67    56 S   CO4  _C8_    44     1.51475   119.28749   -63.97905
   68    67 S   O    _O37    45     1.23030   120.44863   -87.15187
   69    57 S   CM   _C22    64     1.34679   127.72818    97.39655
   70    67 S   CT   _C7_    46     1.52433   116.83188    92.14940
   71    70 S   HC   _H10    47     1.09601   107.76659    27.19908
   72    70 S   HC   _H11    48     1.09484   108.51003   -89.27555
   73    69 S   CT   _C23    65     1.50502   120.48620   178.57563
   74    73 S   HC   _H25    66     1.09495   110.27502   119.32938
   75    73 S   HC   _H26    67     1.09495   110.21647  -120.84974
   76    73 S   HC   _H27    68     1.09512   112.40958    -0.77833
   77    69 S   CT   _C24    69     1.50255   125.01469    -2.25195
   78    77 S   HC   _H28    70     1.09488   110.07516   116.28150
   79    77 S   HC   _H29    71     1.09534   110.03514  -124.41379
   80    77 S   HC   _H30    72     1.09225   113.55361    -4.61749
   81    70 S   CT   _C5_    49     1.53762   112.91865   147.84561
   82    81 S   HC   _H6_    50     1.09732   109.58837   -35.29210
   83    81 S   CT   _C4_    51     1.53096   111.34692    84.48495
   84    83 S   HC   _H3_    52     1.09557   111.25263    60.78873
   85    83 S   HC   _H4_    53     1.09387   111.49229   -59.72727
   86    83 S   HC   _H5_    54     1.09533   110.65049  -179.36727
   87    81 S   CT   _C6_    55     1.53049   110.21686  -153.77790
   88    87 S   HC   _H7_    56     1.09477   111.34011   -59.35278
   89    87 S   HC   _H8_    57     1.09514   110.87022  -179.71333
   90    87 S   HC   _H9_    58     1.09522   110.77541    60.83838
  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   8   5   4   3
  15   6   2   1   1  15  16  10   4   3  14   4   1  10   3  11
   4  10   5   4   3   1   8   6  10   3   7   3   2   1   3   2
   1   1   8   4   8  12   5   4   7   3   2   1   3   2   1   1
   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    56    67    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    56    67    68    70    44    40    41    42    46  
   38    39    48    56    67    40  
   36    37  
   37  
    0  
   39    43    48    56    67    50    53    44    45    40    41    42    46    47    55  
   43    48    49    56    50    51    52    57    53    54    44    45    40    41    42    46  
   41    42    46    47    55    59    63    43    44    56  
   42    46    47    55  
   46    47    55  
   48    49    56    67    50    51    52    57    58    69    53    54    44    45  
   45    48    50    53  
    0  
   47    55    59    60    61    62    63    64    65    66  
   55    59    63  
   49    56    67    68    70    50    51    52    57    53    54  
   56    67    50    53  
   51    52    57    58    69    73    77    53    54    56  
   52    57    58    69    53  
   57    58    69    53  
   54    56    57  
    0  
   59    60    61    62    63    64    65    66  
   67    68    70    71    72    81  
   58    69    73    74    75    76    77    78    79    80  
   69    73    77  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    70    71    72    81    82    83    87  
   70    71    72    81  
   73    74    75    76    77    78    79    80  
   71    72    81    82    83    84    85    86    87    88    89    90  
   72    81    82    83    87  
   81    82    83    87  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    56   317.000  1.510
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   270.000  1.512
   43    50   268.000  1.529
   43    53   320.000  1.410
   48    49   745.000  1.250
   48    56   465.000  1.376
   56    67   320.000  1.462
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.510
   57    58   340.000  1.080
   57    69   549.000  1.340
   69    73   317.000  1.510
   69    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   53    54   553.000  0.945
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.510
   46    47   340.000  1.080
   46    55   549.000  1.340
   55    59   317.000  1.510
   55    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    56    48    70.00000  124.00000
   33    56    67    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  110.12100
   39    43    48    70.00000  110.12100
   39    43    50    70.00000  112.02700
   39    43    53    90.00000  110.39200
   39    44    45    70.00000  107.45700
   43    48    49    85.00000  112.85300
   43    48    56    65.00000  122.18000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    57    70.00000  112.02700
   43    53    54    55.00000  108.50000
   48    56    67    60.00000  125.92000
   56    33    34    85.00000  110.90400
   56    33    38    70.00000  110.12100
   56    48    49    65.00000  137.10300
   56    67    68    80.00000  123.72100
   56    67    70    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    81    63.00000  111.10000
   70    67    68    80.00000  120.40000
   70    81    82    37.50000  110.70000
   70    81    83    58.35000  112.70000
   70    81    87    58.35000  112.70000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   50    43    48    70.00000  112.02700
   50    57    58    35.00000  117.00000
   50    57    69    70.00000  124.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    69    73    70.00000  124.00000
   57    69    77    70.00000  124.00000
   69    57    58    35.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   53    43    48    90.00000  110.39200
   53    43    50    50.00000  109.50000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    35.00000  117.00000
   40    46    55    70.00000  124.00000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    55    59    70.00000  124.00000
   46    55    63    70.00000  124.00000
   55    46    47    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    59    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    56    48   0.42700  1.0 1.0
   29    33    56    48  -0.70350 -1.0 2.0
   29    33    56    48  -0.43150  1.0 3.0
   29    33    56    67   0.09700  1.0 1.0
   29    33    56    67   0.15600 -1.0 2.0
   29    33    56    67  -0.50800  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    56    67    68  -0.64400  1.0 1.0
   33    56    67    68   0.26850 -1.0 2.0
   33    56    67    70   0.25700  1.0 1.0
   33    56    67    70   0.66200 -1.0 2.0
   33    56    67    70   0.04450  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    56    48   0.39000  1.0 1.0
   34    33    56    48  -0.05800 -1.0 2.0
   34    33    56    48  -0.55150  1.0 3.0
   34    33    56    67   0.09700  1.0 1.0
   34    33    56    67   0.15600 -1.0 2.0
   34    33    56    67  -0.50800  1.0 3.0
   38    33    56    48  -0.28300  1.0 1.0
   38    33    56    48   0.26700 -1.0 2.0
   38    33    56    48  -0.63300  1.0 3.0
   38    33    56    67   0.09700  1.0 1.0
   38    33    56    67   0.15600 -1.0 2.0
   38    33    56    67  -0.50800  1.0 3.0
   38    39   -43    48  -0.28300  1.0 1.0
   38    39   -43    48   0.26700 -1.0 2.0
   38    39   -43    48  -0.63300  1.0 3.0
   38    39    43    50   0.09850  1.0 1.0
   38    39    43    50   0.15250 -1.0 2.0
   38    39    43    50  -0.50650  1.0 3.0
   38    39    43    53   0.67800  1.0 1.0
   38    39    43    53   0.47050 -1.0 2.0
   38    39    43    53  -0.62500  1.0 3.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    55  -0.28300  1.0 1.0
   38    40    46    55   0.26700 -1.0 2.0
   38    40    46    55  -0.63300  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    46  -0.28300  1.0 1.0
   39    38    40    46   0.26700 -1.0 2.0
   39    38    40    46  -0.63300  1.0 3.0
   39    43    48    49   0.09700  1.0 1.0
   39    43    48    49   0.15600 -1.0 2.0
   39    43    48    49  -0.50800  1.0 3.0
   39    43    48    56  -0.28300  1.0 1.0
   39    43    48    56   0.26700 -1.0 2.0
   39    43    48    56  -0.63300  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    57   0.31000  1.0 1.0
   39    43    50    57   0.14700 -1.0 2.0
   39    43    50    57   0.07550  1.0 3.0
   39    43    53    54  -0.07800  1.0 1.0
   39    43    53    54  -0.21500 -1.0 2.0
   39    43    53    54  -0.03150  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    48   -56    33   7.00000 -1.0 2.0
   43    48    56    67   7.00000 -1.0 2.0
   43    50    57    58   0.00000  1.0 1.0
   43    50    57    69   0.09850  1.0 1.0
   43    50    57    69   0.15250 -1.0 2.0
   43    50    57    69  -0.50650  1.0 3.0
   48    43    50    51   0.15000  1.0 3.0
   48    43    50    52   0.15000  1.0 3.0
   48    43    50    57   0.31000  1.0 1.0
   48    43    50    57   0.14700 -1.0 2.0
   48    43    50    57   0.07550  1.0 3.0
   48    43    53    54  -0.07800  1.0 1.0
   48    43    53    54  -0.21500 -1.0 2.0
   48    43    53    54  -0.03150  1.0 3.0
   48    56    67    68   1.00000 -1.0 2.0
   48    56    67    70  -0.33500  1.0 1.0
   48    56    67    70   1.06600 -1.0 2.0
   48    56    67    70  -0.14000  1.0 3.0
   49    48    56    33   7.00000 -1.0 2.0
   49    48    56    67   7.00000 -1.0 2.0
   56    33   -38    39  -0.28300  1.0 1.0
   56    33   -38    39   0.26700 -1.0 2.0
   56    33   -38    39  -0.63300  1.0 3.0
   56    33    38    40   0.09700  1.0 1.0
   56    33    38    40   0.15600 -1.0 2.0
   56    33    38    40  -0.50800  1.0 3.0
   56    67    70    71   0.00000  1.0 1.0
   56    67    70    72   0.00000  1.0 1.0
   56    67    70    81   0.65300  1.0 1.0
   56    67    70    81  -0.03850 -1.0 2.0
   56    67    70    81   0.33900  1.0 3.0
   67    70    81    82  -0.11250  1.0 3.0
   67    70    81    83  -0.95700  1.0 1.0
   67    70    81    83  -0.18200 -1.0 2.0
   67    70    81    83   0.29450  1.0 3.0
   67    70    81    87  -0.95700  1.0 1.0
   67    70    81    87  -0.18200 -1.0 2.0
   67    70    81    87   0.29450  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    81   0.30150 -1.0 2.0
   70    81    83    84   0.15000  1.0 3.0
   70    81    83    85   0.15000  1.0 3.0
   70    81    83    86   0.15000  1.0 3.0
   70    81    87    88   0.15000  1.0 3.0
   70    81    87    89   0.15000  1.0 3.0
   70    81    87    90   0.15000  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    83   0.15000  1.0 3.0
   71    70    81    87   0.15000  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    83   0.15000  1.0 3.0
   72    70    81    87   0.15000  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   87    81    83    84   0.15000  1.0 3.0
   87    81    83    85   0.15000  1.0 3.0
   87    81    83    86   0.15000  1.0 3.0
   50    43    48    49   0.09700  1.0 1.0
   50    43    48    49   0.15600 -1.0 2.0
   50    43    48    49  -0.50800  1.0 3.0
   50    43    48    56   0.09850  1.0 1.0
   50    43    48    56   0.15250 -1.0 2.0
   50    43    48    56  -0.50650  1.0 3.0
   50    43    53    54  -0.11600  1.0 1.0
   50    43    53    54  -0.09450 -1.0 2.0
   50    43    53    54   0.21250  1.0 3.0
   50    57    69    73   7.00000 -1.0 2.0
   50    57    69    77   7.00000 -1.0 2.0
   51    50    57    58   0.33100  1.0 3.0
   51    50    57    69   0.00000  1.0 1.0
   52    50    57    58   0.33100  1.0 3.0
   52    50    57    69   0.00000  1.0 1.0
   57    69    73    74   0.00000  1.0 1.0
   57    69    73    75   0.00000  1.0 1.0
   57    69    73    76   0.00000  1.0 1.0
   57    69    77    78   0.00000  1.0 1.0
   57    69    77    79   0.00000  1.0 1.0
   57    69    77    80   0.00000  1.0 1.0
   58    57    69    73   7.00000 -1.0 2.0
   58    57    69    77   7.00000 -1.0 2.0
   73    69    77    78   0.34800  1.0 3.0
   73    69    77    79   0.34800  1.0 3.0
   73    69    77    80   0.34800  1.0 3.0
   77    69    73    74   0.34800  1.0 3.0
   77    69    73    75   0.34800  1.0 3.0
   77    69    73    76   0.34800  1.0 3.0
   53    43    48    49   0.09700  1.0 1.0
   53    43    48    49   0.15600 -1.0 2.0
   53    43    48    49  -0.50800  1.0 3.0
   53    43    48    56   0.67800  1.0 1.0
   53    43    48    56   0.47050 -1.0 2.0
   53    43    48    56  -0.62500  1.0 3.0
   53    43    50    51   0.23400  1.0 3.0
   53    43    50    52   0.23400  1.0 3.0
   53    43    50    57   1.05650  1.0 1.0
   53    43    50    57   0.15600 -1.0 2.0
   53    43    50    57   0.53150  1.0 3.0
   44    39    43    48   0.09700  1.0 1.0
   44    39    43    48   0.15600 -1.0 2.0
   44    39    43    48  -0.50800  1.0 3.0
   44    39    43    50   0.09700  1.0 1.0
   44    39    43    50   0.15600 -1.0 2.0
   44    39    43    50  -0.50800  1.0 3.0
   44    39    43    53   0.09700  1.0 1.0
   44    39    43    53   0.15600 -1.0 2.0
   44    39    43    53  -0.50800  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    46    55    59   7.00000 -1.0 2.0
   40    46    55    63   7.00000 -1.0 2.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    55   0.00000  1.0 1.0
   42    40    46    47   0.33100  1.0 3.0
   42    40    46    55   0.00000  1.0 1.0
   46    55    59    60   0.00000  1.0 1.0
   46    55    59    61   0.00000  1.0 1.0
   46    55    59    62   0.00000  1.0 1.0
   46    55    63    64   0.00000  1.0 1.0
   46    55    63    65   0.00000  1.0 1.0
   46    55    63    66   0.00000  1.0 1.0
   47    46    55    59   7.00000 -1.0 2.0
   47    46    55    63   7.00000 -1.0 2.0
   59    55    63    64   0.34800  1.0 3.0
   59    55    63    65   0.34800  1.0 3.0
   59    55    63    66   0.34800  1.0 3.0
   63    55    59    60   0.34800  1.0 3.0
   63    55    59    61   0.34800  1.0 3.0
   63    55    59    62   0.34800  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
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    49    48    56   1.10000 -1.0 2.0
   33    67    56    48   1.10000 -1.0 2.0
   56    70    67    68  10.50000 -1.0 2.0
   50    58    57    69  15.00000 -1.0 2.0
   73    77    69    57  15.00000 -1.0 2.0
   40    47    46    55  15.00000 -1.0 2.0
   59    63    55    46  15.00000 -1.0 2.0
END
