* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    165    242     481
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.01997   105.21234     2.01110
    3     1 S   H    _H1_     3     1.02155    46.56979   103.57990
    4     1 S   H    _H2_     4     1.02130    66.11730  -102.00441
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.85034    97.18844   161.83562
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CM   _C9_    37     1.52146   109.70497   -60.00375
   38    33 S   OH   _O35    90     1.42963   109.85221  -177.45340
   39    38 S   HO   _H13    91     0.96807   106.33703   179.03328
   40    37 S   CMA  _C10    38     1.36091   126.30251   126.54710
   41    40 S   OM   _O37    39     1.26750   130.24211  -178.85773
   42    37 S   CO4  _C8_    75     1.48596   116.74467   -56.84837
   43    42 S   O    _O33    76     1.22229   119.34399    94.86232
   44    40 S   CT   _C11    40     1.54391   118.99207     2.68868
   45    42 S   CT   _C7_    77     1.51360   116.26539   -86.91519
   46    45 S   HC   _H11    78     1.09690   109.45696    90.00009
   47    45 S   HC   _H12    79     1.09680   106.67920   -26.46691
   48    44 S   CO4  _C12    41     1.53225   110.49808    18.06635
   49    48 S   O    _O34    42     1.23125   122.26489   130.07110
   50    44 S   CT   _C20    59     1.53570   113.04554  -105.30875
   51    50 S   HC   _H23    60     1.08289   107.19662   -60.01997
   52    50 S   HC   _H24    61     1.08586   106.66500    54.23642
   53    44 S   OH   _O36    73     1.43519   110.58351   132.91000
   54    53 S   HO   _H32    74     0.96674   105.95270   179.96044
   55    45 S   CT   _C5_    80     1.53648   112.93516  -147.33552
   56    55 S   HC   _H7_    81     1.09779   109.46997   -58.38228
   57    33 S   CT   _C13    43     1.54657   106.50870    64.23593
   58    57 S   HC   _H3_    44     1.09857   110.69711   -42.54216
   59    50 S   CM   _C21    62     1.48843   113.03874   174.49391
   60    59 S   HC   _H25    63     1.08971   114.49880   -60.77637
   61    55 S   CT   _C4_    82     1.52978   110.06564    60.00434
   62    61 S   HC   _H4_    83     1.09569   111.25814    60.62876
   63    61 S   HC   _H5_    84     1.09472   110.83678  -179.13929
   64    61 S   HC   _H6_    85     1.09538   110.77619   -59.57346
   65    55 S   CT   _C6_    86     1.53106   111.40060  -177.96962
   66    65 S   HC   _H8_    87     1.09480   111.30894   -59.61896
   67    65 S   HC   _H9_    88     1.09491   111.28526   179.87028
   68    65 S   HC   _H10    89     1.09575   110.63939    59.89502
   69    57 S   CT   _C15    45     1.53350   114.73915    78.67103
   70    69 S   HC   _H14    46     1.08363   107.25806   -37.50801
   71    69 S   HC   _H15    47     1.08704   106.74474    76.64306
   72    59 S   CM   _C22    64     1.34658   127.30724   122.16673
   73    69 S   CM   _C16    48     1.48903   113.18427  -163.05096
   74    73 S   HC   _H16    49     1.08892   114.46806   -90.54341
   75    72 S   CT   _C23    65     1.50232   125.03888  -179.96044
   76    75 S   HC   _H26    66     1.09454   110.11133    89.96048
   77    75 S   HC   _H27    67     1.09574   110.10851  -150.68776
   78    75 S   HC   _H28    68     1.09243   113.40753   -31.12015
   79    72 S   CT   _C24    69     1.50563   120.48170     0.62620
   80    79 S   HC   _H29    70     1.09500   112.40851    90.02508
   81    79 S   HC   _H30    71     1.09513   110.33601  -149.85262
   82    79 S   HC   _H31    72     1.09481   110.23192   -29.98655
   83    73 S   CM   _C17    50     1.34659   127.29388    92.21573
   84    83 S   CT   _C18    51     1.50229   124.98090  -179.97202
   85    84 S   HC   _H17    52     1.09499   110.11401    90.05764
   86    84 S   HC   _H18    53     1.09594   110.08227  -150.60370
   87    84 S   HC   _H19    54     1.09231   113.46744   -31.09270
   88    83 S   CT   _C19    55     1.50454   120.52683     0.73701
   89    88 S   HC   _H20    56     1.09544   112.42869    89.90728
   90    88 S   HC   _H21    57     1.09479   110.32190  -149.88209
   91    88 S   HC   _H22    58     1.09596   110.21460   -30.09447
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  17   7   1  14   5  10   4  13  12   5   4  13
   5  10   5   4   3   1   9   8   7   4  10   3   7   3   2   1
   3   2   1   1   7   4   3   8  10   3   7   3   2   1   3   2
   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    57    58    69    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    49    57    58    69    70    71    73    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    48    57    58    69    50    53    42    43    45    46    47    55    38    39  
   39    40    42    48    57    58    69  
   57  
   41    44    48    49    57    50    51    52    59    53    54    42    43    45  
   44    48    50    53    42  
   43    45    46    47    55    56    61    65    44    57  
   45    46    47    55  
   48    49    57    58    69    50    51    52    59    60    72    53    54  
   46    47    55    56    61    62    63    64    65    66    67    68  
   47    55    56    61    65  
   55    56    61    65  
   49    57    58    69    70    71    73    50    51    52    59    53    54  
   57    58    69    50    53  
   51    52    59    60    72    75    79    53    54    57  
   52    59    60    72    53  
   59    60    72    53  
   54    57    59  
    0  
   56    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   58    69    70    71    73    74    83  
   69    70    71    73  
   60    72    75    76    77    78    79    80    81    82  
   72    75    79  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    73    74    83    84    88  
   71    73    74    83  
   73    74    83  
   75    76    77    78    79    80    81    82  
   74    83    84    85    86    87    88    89    90    91  
   83    84    88  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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   0.432500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   91   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   317.000  1.510
   33    57   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    48   317.000  1.522
   44    50   268.000  1.529
   44    53   320.000  1.410
   48    49   570.000  1.229
   48    57   317.000  1.522
   57    58   340.000  1.090
   57    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.510
   73    74   340.000  1.080
   73    83   549.000  1.340
   83    84   317.000  1.510
   83    88   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   317.000  1.510
   59    60   340.000  1.080
   59    72   549.000  1.340
   72    75   317.000  1.510
   72    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   53    54   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    39   553.000  0.945
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  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    57    48    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    69    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  118.62400
   40    44    48    70.00000  109.06800
   40    44    50    70.00000  112.02700
   40    44    53    90.00000  110.39200
   44    40    41    85.00000  112.85300
   44    48    49    80.00000  120.40000
   44    48    57    70.00000  116.00000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    59    70.00000  112.02700
   44    53    54    55.00000  108.50000
   48    57    58    35.00000  109.50000
   48    57    69    63.00000  111.10000
   57    33    37    70.00000  112.02700
   57    48    49    80.00000  120.40000
   57    69    70    37.50000  110.70000
   57    69    71    37.50000  110.70000
   57    69    73    70.00000  112.02700
   69    57    58    37.50000  110.70000
   69    73    74    35.00000  117.00000
   69    73    83    70.00000  124.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    83    84    70.00000  124.00000
   73    83    88    70.00000  124.00000
   83    73    74    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    83    84    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   50    44    48    63.00000  111.10000
   50    59    60    35.00000  117.00000
   50    59    72    70.00000  124.00000
   52    50    51    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    52    35.00000  109.50000
   59    72    75    70.00000  124.00000
   59    72    79    70.00000  124.00000
   72    59    60    35.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   53    44    48    90.00000  109.61100
   53    44    50    50.00000  109.50000
   42    37    40    60.00000  125.92000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    55    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    55    56    37.50000  110.70000
   45    55    61    58.35000  112.70000
   45    55    65    58.35000  112.70000
   47    45    46    33.00000  107.80000
   55    45    46    37.50000  110.70000
   55    45    47    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   61    55    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    57    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    57    48   0.56750  1.0 1.0
   29    33    57    48  -0.07550 -1.0 2.0
   29    33    57    48   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    69   0.44750  1.0 1.0
   29    33    57    69  -0.17800 -1.0 2.0
   29    33    57    69   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    45   0.25700  1.0 1.0
   33    37    42    45   0.66200 -1.0 2.0
   33    37    42    45   0.04450  1.0 3.0
   33    57    69    70   0.15000  1.0 3.0
   33    57    69    71   0.15000  1.0 3.0
   33    57    69    73   0.34400  1.0 1.0
   33    57    69    73   0.09450 -1.0 2.0
   33    57    69    73   0.11100  1.0 3.0
   37    33    57    48  -0.98800  1.0 1.0
   37    33    57    48   0.48800 -1.0 2.0
   37    33    57    48   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    69   0.34400  1.0 1.0
   37    33    57    69   0.09450 -1.0 2.0
   37    33    57    69   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    48  -0.51250  1.0 1.0
   37    40   -44    48  -0.88800 -1.0 2.0
   37    40   -44    48   0.08850  1.0 3.0
   37    40    44    50   0.09850  1.0 1.0
   37    40    44    50   0.15250 -1.0 2.0
   37    40    44    50  -0.50650  1.0 3.0
   37    40    44    53   0.67800  1.0 1.0
   37    40    44    53   0.47050 -1.0 2.0
   37    40    44    53  -0.62500  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    47   0.00000  1.0 1.0
   37    42    45    55   0.65300  1.0 1.0
   37    42    45    55  -0.03850 -1.0 2.0
   37    42    45    55   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    45  -0.33500  1.0 1.0
   40    37    42    45   1.06600 -1.0 2.0
   40    37    42    45  -0.14000  1.0 3.0
   40    44    48    49   0.30150 -1.0 2.0
   40    44    48    57   0.65300  1.0 1.0
   40    44    48    57  -0.03850 -1.0 2.0
   40    44    48    57   0.33900  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    59   0.31000  1.0 1.0
   40    44    50    59   0.14700 -1.0 2.0
   40    44    50    59   0.07550  1.0 3.0
   40    44    53    54  -0.07800  1.0 1.0
   40    44    53    54  -0.21500 -1.0 2.0
   40    44    53    54  -0.03150  1.0 3.0
   41    40    44    48   0.09700  1.0 1.0
   41    40    44    48   0.15600 -1.0 2.0
   41    40    44    48  -0.50800  1.0 3.0
   41    40    44    50   0.09700  1.0 1.0
   41    40    44    50   0.15600 -1.0 2.0
   41    40    44    50  -0.50800  1.0 3.0
   41    40    44    53   0.09700  1.0 1.0
   41    40    44    53   0.15600 -1.0 2.0
   41    40    44    53  -0.50800  1.0 3.0
   44    48   -57    33   0.60050  1.0 1.0
   44    48   -57    33   0.05600 -1.0 2.0
   44    48   -57    33   0.26150  1.0 3.0
   44    48    57    58   0.00000  1.0 1.0
   44    48    57    69   0.60050  1.0 1.0
   44    48    57    69   0.05600 -1.0 2.0
   44    48    57    69   0.26150  1.0 3.0
   44    50    59    60   0.00000  1.0 1.0
   44    50    59    72   0.09850  1.0 1.0
   44    50    59    72   0.15250 -1.0 2.0
   44    50    59    72  -0.50650  1.0 3.0
   48    44    50    51  -0.11250  1.0 3.0
   48    44    50    52  -0.11250  1.0 3.0
   48    44    50    59  -0.98800  1.0 1.0
   48    44    50    59   0.48800 -1.0 2.0
   48    44    50    59   0.76800  1.0 3.0
   48    44    53    54   0.91850  1.0 1.0
   48    44    53    54   0.57950  1.0 3.0
   48    57    69    70  -0.11250  1.0 3.0
   48    57    69    71  -0.11250  1.0 3.0
   48    57    69    73  -0.98800  1.0 1.0
   48    57    69    73   0.48800 -1.0 2.0
   48    57    69    73   0.76800  1.0 3.0
   49    48    57    33   0.30150 -1.0 2.0
   49    48    57    58   0.00000  1.0 1.0
   49    48    57    69   0.30150 -1.0 2.0
   57    33   -37    40   0.09850  1.0 1.0
   57    33   -37    40   0.15250 -1.0 2.0
   57    33   -37    40  -0.50650  1.0 3.0
   57    33    37    42   0.09700  1.0 1.0
   57    33    37    42   0.15600 -1.0 2.0
   57    33    37    42  -0.50800  1.0 3.0
   57    33    38    39  -0.11600  1.0 1.0
   57    33    38    39  -0.09450 -1.0 2.0
   57    33    38    39   0.21250  1.0 3.0
   57    69    73    74   0.00000  1.0 1.0
   57    69    73    83   0.09850  1.0 1.0
   57    69    73    83   0.15250 -1.0 2.0
   57    69    73    83  -0.50650  1.0 3.0
   58    57    69    70   0.15000  1.0 3.0
   58    57    69    71   0.15000  1.0 3.0
   58    57    69    73   0.15000  1.0 3.0
   69    73    83    84   7.00000 -1.0 2.0
   69    73    83    88   7.00000 -1.0 2.0
   70    69    73    74   0.33100  1.0 3.0
   70    69    73    83   0.00000  1.0 1.0
   71    69    73    74   0.33100  1.0 3.0
   71    69    73    83   0.00000  1.0 1.0
   73    83    84    85   0.00000  1.0 1.0
   73    83    84    86   0.00000  1.0 1.0
   73    83    84    87   0.00000  1.0 1.0
   73    83    88    89   0.00000  1.0 1.0
   73    83    88    90   0.00000  1.0 1.0
   73    83    88    91   0.00000  1.0 1.0
   74    73    83    84   7.00000 -1.0 2.0
   74    73    83    88   7.00000 -1.0 2.0
   84    83    88    89   0.34800  1.0 3.0
   84    83    88    90   0.34800  1.0 3.0
   84    83    88    91   0.34800  1.0 3.0
   88    83    84    85   0.34800  1.0 3.0
   88    83    84    86   0.34800  1.0 3.0
   88    83    84    87   0.34800  1.0 3.0
   50    44    48    49   0.30150 -1.0 2.0
   50    44    48    57   0.60050  1.0 1.0
   50    44    48    57   0.05600 -1.0 2.0
   50    44    48    57   0.26150  1.0 3.0
   50    44    53    54  -0.11600  1.0 1.0
   50    44    53    54  -0.09450 -1.0 2.0
   50    44    53    54   0.21250  1.0 3.0
   50    59    72    75   7.00000 -1.0 2.0
   50    59    72    79   7.00000 -1.0 2.0
   51    50    59    60   0.33100  1.0 3.0
   51    50    59    72   0.00000  1.0 1.0
   52    50    59    60   0.33100  1.0 3.0
   52    50    59    72   0.00000  1.0 1.0
   59    72    75    76   0.00000  1.0 1.0
   59    72    75    77   0.00000  1.0 1.0
   59    72    75    78   0.00000  1.0 1.0
   59    72    79    80   0.00000  1.0 1.0
   59    72    79    81   0.00000  1.0 1.0
   59    72    79    82   0.00000  1.0 1.0
   60    59    72    75   7.00000 -1.0 2.0
   60    59    72    79   7.00000 -1.0 2.0
   75    72    79    80   0.34800  1.0 3.0
   75    72    79    81   0.34800  1.0 3.0
   75    72    79    82   0.34800  1.0 3.0
   79    72    75    76   0.34800  1.0 3.0
   79    72    75    77   0.34800  1.0 3.0
   79    72    75    78   0.34800  1.0 3.0
   53    44    48    49   0.30150 -1.0 2.0
   53    44    48    57   0.55300  1.0 1.0
   53    44    48    57   1.25850 -1.0 2.0
   53    44    48    57  -0.23600  1.0 3.0
   53    44    50    51   0.23400  1.0 3.0
   53    44    50    52   0.23400  1.0 3.0
   53    44    50    59   1.05650  1.0 1.0
   53    44    50    59   0.15600 -1.0 2.0
   53    44    50    59   0.53150  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    55    56  -0.11250  1.0 3.0
   42    45    55    61  -0.95700  1.0 1.0
   42    45    55    61  -0.18200 -1.0 2.0
   42    45    55    61   0.29450  1.0 3.0
   42    45    55    65  -0.95700  1.0 1.0
   42    45    55    65  -0.18200 -1.0 2.0
   42    45    55    65   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    55   0.30150 -1.0 2.0
   45    55    61    62   0.15000  1.0 3.0
   45    55    61    63   0.15000  1.0 3.0
   45    55    61    64   0.15000  1.0 3.0
   45    55    65    66   0.15000  1.0 3.0
   45    55    65    67   0.15000  1.0 3.0
   45    55    65    68   0.15000  1.0 3.0
   46    45    55    56   0.15000  1.0 3.0
   46    45    55    61   0.15000  1.0 3.0
   46    45    55    65   0.15000  1.0 3.0
   47    45    55    56   0.15000  1.0 3.0
   47    45    55    61   0.15000  1.0 3.0
   47    45    55    65   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   61    55    65    66   0.15000  1.0 3.0
   61    55    65    67   0.15000  1.0 3.0
   61    55    65    68   0.15000  1.0 3.0
   65    55    61    62   0.15000  1.0 3.0
   65    55    61    63   0.15000  1.0 3.0
   65    55    61    64   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    57    48  -0.09450  1.0 1.0
   38    33    57    48  -1.12950 -1.0 2.0
   38    33    57    48   0.54000  1.0 3.0
   38    33    57    58   0.23400  1.0 3.0
   38    33    57    69   0.86500  1.0 1.0
   38    33    57    69  -0.17500 -1.0 2.0
   38    33    57    69   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    57    48    49  10.50000 -1.0 2.0
   69    74    73    83  15.00000 -1.0 2.0
   84    88    83    73  15.00000 -1.0 2.0
   50    60    59    72  15.00000 -1.0 2.0
   75    79    72    59  15.00000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
END
