* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    153    248     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02132    35.79415   135.07951
    3     1 S   H    _H1_     3     1.02127    80.56386   -83.11651
    4     1 S   H    _H2_     4     1.02060    98.34445    24.58819
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C13    36     1.82887    97.94155  -178.15740
   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   _C18    37     1.50436   109.86458    59.99785
   38    33 S   CO4  _C12    70     1.50505   108.47154   177.44626
   39    38 S   O    _O33    71     1.22847   121.13721   -27.58713
   40    37 S   CM   _C17    38     1.34328   123.68221  -120.22267
   41    37 S   OS1  _O35    47     1.39015   116.96193    59.94056
   42    38 S   CM   _C11    72     1.49119   116.57286   151.16527
   43    42 S   HC   _H13    73     1.08383   117.23046    29.21141
   44    40 S   CMA  _C16    39     1.47361   122.63447     1.11487
   45    44 S   OM   _O42    40     1.26232   112.85890   179.48300
   46    40 S   OH   _O41    45     1.39251   118.75623  -179.58504
   47    46 S   HO   _H21    46     0.95915   109.13077  -179.33090
   48    41 S   CO1  _C19    48     1.42668   114.79095   119.79473
   49    48 S   HC   _H3_    49     1.09801   107.41063    80.04200
   50    42 S   CM   _C10    74     1.34081   120.24472  -150.04140
   51    50 S   HC   _H12    75     1.08815   120.32754     0.84209
   52    44 S   CM   _C15    41     1.34715   118.47695    -0.33220
   53    52 S   HC   _H14    42     1.08764   121.07824   179.95154
   54    48 S   CT   _C20    50     1.52873   107.84355  -160.36773
   55    54 S   HC   _H4_    51     1.09747   110.64744    51.36404
   56    50 S   CA   _C9_    76     1.47265   124.43640   179.55281
   57    33 S   CO4  _C14    43     1.52715   107.04936   -62.91503
   58    57 S   O    _O34    44     1.23188   122.16223   -60.42859
   59    54 S   CT   _C21    52     1.52873   111.35502   173.95600
   60    59 S   HC   _H5_    53     1.09758   110.88121    74.78501
   61    54 S   OH5  _O40    68     1.42761   109.49502   -66.26859
   62    61 S   HO   _H20    69     0.96880   106.42717   -61.58406
   63    56 S   CA   _C4_    77     1.39560   119.96853   -19.99852
   64    63 S   HA   _H8_    78     1.08755   120.85985    -0.02798
   65    59 S   CT   _C22    54     1.52884   111.22296   -48.55527
   66    65 S   HC   _H6_    55     1.09766   108.91272   -72.57820
   67    59 S   OH5  _O39    66     1.42836   109.16589  -168.30038
   68    67 S   HO   _H19    67     0.96942   106.36383    61.38274
   69    63 S   CA   _C5_    79     1.39487   119.99036  -179.96044
   70    69 S   HA   _H9_    80     1.08656   119.64218  -180.00000
   71    65 S   CT   _C23    56     1.53033   110.80141    49.52768
   72    71 S   HC   _H7_    57     1.09797   110.46629    64.83630
   73    65 S   OH5  _O38    64     1.42523   108.06958   170.63481
   74    73 S   HO   _H18    65     0.96962   106.54248   -59.98493
   75    69 S   CA   _C6_    81     1.39516   120.00095    -0.07662
   76    48 S   OS1  _O36    58     1.42580   109.85037   -39.84046
   77    71 S   CT   _C24    59     1.52541   112.24643  -175.03793
   78    77 S   HC   _H15    60     1.08967   109.95449    59.96356
   79    77 S   HC   _H16    61     1.09097   109.93927   -60.96136
   80    75 S   CA   _C7_    82     1.39431   119.99514     0.10087
   81    80 S   HA   _H10    83     1.08663   120.35585   179.94405
   82    75 S   OH   _O43    86     1.36065   119.98165  -179.97202
   83    82 S   HO   _H22    87     0.97039   110.24854  -179.95154
   84    77 S   OH5  _O37    62     1.41596   108.54428   179.56479
   85    84 S   HO   _H17    63     0.97231   107.03575   179.97202
   86    56 S   CA   _C8_    84     1.39509   120.04637   159.99943
   87    86 S   HA   _H11    85     1.08677   120.79877     0.00000
  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
  15   2   1   1  16  11   4   9  11   7   3   7   4   2   1  13
   6   8   3   3   2  12   7   9   1   1  13   7   4   1   8   4
  12   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5
   3   2   1   1   1   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    52    57    58    41    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    52    53    57    58    46    41    48    38    39    42    43    50  
   35    36  
   36  
    0  
   40    44    45    52    57    58    46    47    41    48    49    54    76    38    39    42  
   39    42    43    50    51    56    40    41    52    57    58  
   42    43    50    57  
   44    45    52    53    57    46    47    41    48  
   48    49    54    55    59    71    76    61    44    46    57  
   43    50    51    56    63    86    57  
   50    51    56  
   45    52    53    57    58    46    47  
   52    53    57    46  
   47    52  
    0  
   49    54    55    59    60    65    71    72    76    77    67    61    62  
   54    55    59    71    76    61  
   51    56    63    64    69    80    86    87  
   56    63    86  
   53    57    58  
   57    58  
   55    59    60    65    66    71    76    73    67    68    61    62  
   59    60    65    76    67    61    62  
   63    64    69    70    75    80    81    86    87  
   58  
    0  
   60    65    66    71    72    76    77    73    74    67    68    61    62  
   65    66    71    73    67    68    61  
   62    65    67    76  
    0  
   64    69    70    75    80    86    87    82  
   69    70    75    86  
   66    71    72    76    77    78    79    84    73    74    67    68  
   71    72    76    77    73    74    67  
   68    71    73  
    0  
   70    75    80    81    86    82    83  
   75    80    82  
   72    76    77    78    79    84    85    73    74  
   76    77    78    79    84    73  
   74    76    77  
    0  
   80    81    86    87    82    83  
   77    78    79    84  
   78    79    84    85  
   79    84    85  
   84    85  
   81    86    87    82    83  
   86    87    82  
   83    86  
    0  
   85  
    0  
   87  
    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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   41   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.522
   33    38   317.000  1.522
   37    40   549.000  1.340
   37    41   440.000  1.360
   40    44   465.000  1.376
   40    46   510.000  1.338
   44    45   745.000  1.250
   44    52   465.000  1.376
   52    53   340.000  1.080
   52    57   320.000  1.462
   57    58   570.000  1.229
   46    47   553.000  0.945
   41    48   370.000  1.399
   48    49   360.000  1.097
   48    54   255.000  1.525
   48    76   370.000  1.399
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   355.000  1.421
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   355.000  1.421
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   355.000  1.421
   71    72   340.000  1.090
   71    76   335.000  1.422
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   355.000  1.421
   84    85   580.000  0.967
   73    74   580.000  0.967
   67    68   580.000  0.967
   61    62   580.000  0.967
   38    39   570.000  1.229
   38    42   320.000  1.462
   42    43   340.000  1.080
   42    50   549.000  1.340
   50    51   340.000  1.080
   50    56   320.000  1.460
   56    63   469.000  1.400
   56    86   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    80   469.000  1.400
   75    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   82    83   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  110.18000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    57    52    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  118.62400
   37    40    44    70.00000  117.34000
   37    40    46    80.00000  121.38400
   37    41    48    90.00000  111.18400
   40    44    45    65.00000  137.10300
   40    44    52    70.00000  123.01800
   40    46    47    70.00000  107.45700
   44    52    53    40.00000  120.50800
   44    52    57    60.00000  125.92000
   52    44    45    65.00000  137.10300
   52    57    58    80.00000  123.72100
   57    33    37    70.00000  109.06800
   57    52    53    40.00000  117.72500
   46    40    44    80.00000  121.38400
   41    37    40    80.00000  120.01400
   41    48    49    60.00000  105.75400
   41    48    54    90.00000  109.70700
   41    48    76   110.00000  113.16000
   48    54    55    45.00000  109.54000
   48    54    59    70.00000  111.10000
   48    54    61    90.00000  109.42000
   48    76    71    90.00000  112.10700
   54    48    49    45.00000  111.65000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    67    90.00000  111.45300
   54    61    62    65.00000  108.53500
   59    54    55    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    73    90.00000  111.45300
   59    67    68    65.00000  108.53500
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    76    95.00000  107.88500
   65    71    77    58.35000  112.70000
   65    73    74    65.00000  108.53500
   71    65    66    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    84    90.00000  111.45300
   76    48    49    60.00000  105.75400
   76    48    54    90.00000  109.70700
   76    71    72    55.00000  108.98800
   77    71    72    37.50000  110.70000
   77    71    76    95.00000  107.88500
   77    84    85    65.00000  108.53500
   79    77    78    33.00000  107.80000
   84    77    78    60.00000  109.39000
   84    77    79    60.00000  109.39000
   73    65    66    60.00000  109.39000
   73    65    71    90.00000  111.45300
   67    59    60    60.00000  109.39000
   67    59    65    90.00000  111.45300
   61    54    55    60.00000  109.39000
   61    54    59    90.00000  111.45300
   38    33    37    70.00000  109.06800
   38    33    57    75.00000  107.99600
   38    42    43    40.00000  117.72500
   38    42    50    65.00000  118.96000
   42    38    39    80.00000  123.72100
   42    50    51    35.00000  120.00000
   42    50    56    60.00000  123.20500
   50    42    43    35.00000  120.00000
   50    56    63    60.00000  120.93500
   50    56    86    60.00000  120.93500
   56    50    51    40.00000  117.26300
   56    63    64    35.00000  120.00000
   56    63    69    63.00000  120.00000
   56    86    80    63.00000  120.00000
   56    86    87    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    75    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    75    80    63.00000  120.00000
   69    75    82    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   75    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   86    56    63    63.00000  120.00000
   86    80    81    35.00000  120.00000
   82    75    80    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    57    52   0.65300  1.0 1.0
   29    33    57    52  -0.03850 -1.0 2.0
   29    33    57    52   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    41    48   2.00000 -1.0 2.0
   33    38    42    43   0.04550  1.0 1.0
   33    38    42    43   0.83000 -1.0 2.0
   33    38    42    43  -0.04000  1.0 3.0
   33    38    42    50  -0.33500  1.0 1.0
   33    38    42    50   1.06600 -1.0 2.0
   33    38    42    50  -0.14000  1.0 3.0
   37    33    57    52   0.65300  1.0 1.0
   37    33    57    52  -0.03850 -1.0 2.0
   37    33    57    52   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.65300  1.0 1.0
   37    33    38    42  -0.03850 -1.0 2.0
   37    33    38    42   0.33900  1.0 3.0
   37    40    44    45   7.00000 -1.0 2.0
   37    40   -44    52   7.00000 -1.0 2.0
   37    40    46    47  -0.66100  1.0 1.0
   37    40    46    47   1.20850 -1.0 2.0
   37    40    46    47  -0.36000  1.0 3.0
   37    41    48    49   0.08050  1.0 3.0
   37    41    48    54  -0.46850  1.0 1.0
   37    41    48    54   0.09300 -1.0 2.0
   37    41    48    54  -0.12850  1.0 3.0
   37    41    48    76  -0.48150  1.0 1.0
   37    41    48    76   0.09250 -1.0 2.0
   37    41    48    76  -0.12850  1.0 3.0
   40    37    41    48  -2.26850  1.0 1.0
   40    37    41    48   3.39050 -1.0 2.0
   40    44    52    53   7.00000 -1.0 2.0
   40    44    52    57   7.00000 -1.0 2.0
   44    40    46    47  -0.66100  1.0 1.0
   44    40    46    47   1.20850 -1.0 2.0
   44    40    46    47  -0.36000  1.0 3.0
   44    52   -57    33  -0.33500  1.0 1.0
   44    52   -57    33   1.06600 -1.0 2.0
   44    52   -57    33  -0.14000  1.0 3.0
   44    52    57    58   1.00000 -1.0 2.0
   45    44    52    53   7.00000 -1.0 2.0
   45    44    52    57   7.00000 -1.0 2.0
   53    52    57    33   0.04550  1.0 1.0
   53    52    57    33   0.83000 -1.0 2.0
   53    52    57    33  -0.04000  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   57    33   -37    40  -0.51250  1.0 1.0
   57    33   -37    40  -0.88800 -1.0 2.0
   57    33   -37    40   0.08850  1.0 3.0
   57    33    37    41   0.09700  1.0 1.0
   57    33    37    41   0.15600 -1.0 2.0
   57    33    37    41  -0.50800  1.0 3.0
   57    33    38    39   0.30150 -1.0 2.0
   57    33    38    42   0.65300  1.0 1.0
   57    33    38    42  -0.03850 -1.0 2.0
   57    33    38    42   0.33900  1.0 3.0
   46    40    44    45   7.00000 -1.0 2.0
   46    40    44    52   7.00000 -1.0 2.0
   41    37    40    44   7.00000 -1.0 2.0
   41    37    40    46   7.00000 -1.0 2.0
   41    48    54    55   0.23400  1.0 3.0
   41    48    54    59   0.62750  1.0 1.0
   41    48    54    59  -0.30950 -1.0 2.0
   41    48    54    59   0.27300  1.0 3.0
   41    48    54    61   1.51850  1.0 1.0
   41    48    76    71  -0.70400  1.0 1.0
   41    48    76    71  -0.90350 -1.0 2.0
   48    54    59    60   0.15000  1.0 3.0
   48    54    59    65   0.56750  1.0 1.0
   48    54    59    65  -0.07550 -1.0 2.0
   48    54    59    65   0.20000  1.0 3.0
   48    54    59    67  -0.47750  1.0 1.0
   48    54    61    62   0.29150  1.0 1.0
   48    54    61    62  -0.28350 -1.0 2.0
   48    54    61    62   0.43600  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    59   0.15000  1.0 3.0
   49    48    54    61   0.23400  1.0 3.0
   49    48    76    71   0.37050  1.0 3.0
   54    48    76    71   0.06250  1.0 1.0
   54    48    76    71  -0.01100 -1.0 2.0
   54    48    76    71   0.28050  1.0 3.0
   54    59    65    66   0.15000  1.0 3.0
   54    59   -65    71   0.56750  1.0 1.0
   54    59   -65    71  -0.07550 -1.0 2.0
   54    59   -65    71   0.20000  1.0 3.0
   54    59    65    73  -0.47750  1.0 1.0
   54    59    67    68   0.29150  1.0 1.0
   54    59    67    68  -0.28350 -1.0 2.0
   54    59    67    68   0.43600  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   55    54    59    67   0.23400  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   59    54    61    62   0.29150  1.0 1.0
   59    54    61    62  -0.28350 -1.0 2.0
   59    54    61    62   0.43600  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    76   0.62750  1.0 1.0
   59    65    71    76  -0.30950 -1.0 2.0
   59    65    71    76   0.27300  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   59    65    73    74   0.29150  1.0 1.0
   59    65    73    74  -0.28350 -1.0 2.0
   59    65    73    74   0.43600  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    73   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68   0.29150  1.0 1.0
   65    59    67    68  -0.28350 -1.0 2.0
   65    59    67    68   0.43600  1.0 3.0
   65    71   -76    48   0.06250  1.0 1.0
   65    71   -76    48  -0.01100 -1.0 2.0
   65    71   -76    48   0.28050  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    84  -0.47750  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    76   0.23400  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74   0.29150  1.0 1.0
   71    65    73    74  -0.28350 -1.0 2.0
   71    65    73    74   0.43600  1.0 3.0
   71    77    84    85   0.29150  1.0 1.0
   71    77    84    85  -0.28350 -1.0 2.0
   71    77    84    85   0.43600  1.0 3.0
   72    71    76    48   0.37050  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    84   0.23400  1.0 3.0
   76    48    54    55   0.23400  1.0 3.0
   76    48   -54    59   0.62750  1.0 1.0
   76    48   -54    59  -0.30950 -1.0 2.0
   76    48   -54    59   0.27300  1.0 3.0
   76    48    54    61   1.51850  1.0 1.0
   76    71    77    78   0.23400  1.0 3.0
   76    71    77    79   0.23400  1.0 3.0
   76    71    77    84   1.51850  1.0 1.0
   77    71    76    48   0.06250  1.0 1.0
   77    71    76    48  -0.01100 -1.0 2.0
   77    71    76    48   0.28050  1.0 3.0
   78    77    84    85   0.19450  1.0 3.0
   79    77    84    85   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    76   1.51850  1.0 1.0
   73    65    71    77  -0.47750  1.0 1.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    71  -0.47750  1.0 1.0
   67    59    65    73   3.77950  1.0 1.0
   61    54    59    60   0.23400  1.0 3.0
   61    54    59    65  -0.47750  1.0 1.0
   61    54    59    67   3.77950  1.0 1.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    57    52   0.65300  1.0 1.0
   38    33    57    52  -0.03850 -1.0 2.0
   38    33    57    52   0.33900  1.0 3.0
   38    33    57    58   0.30150 -1.0 2.0
   38    42    50    51   7.00000 -1.0 2.0
   38    42    50    56   7.00000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   1.00000 -1.0 2.0
   42    50    56    63   0.15800  1.0 1.0
   42    50    56    63   1.85350 -1.0 2.0
   42    50    56    63  -0.48700  1.0 3.0
   42    50    56    86   0.15800  1.0 1.0
   42    50    56    86   1.85350 -1.0 2.0
   42    50    56    86  -0.48700  1.0 3.0
   43    42    50    51   7.00000 -1.0 2.0
   43    42    50    56   7.00000 -1.0 2.0
   50    56    63    64   3.62500 -1.0 2.0
   50    56    63    69   3.62500 -1.0 2.0
   50    56    86    80   3.62500 -1.0 2.0
   50    56    86    87   3.62500 -1.0 2.0
   51    50    56    63   0.56550  1.0 3.0
   51    50    56    86   0.56550  1.0 3.0
   56    63    69    70   3.62500 -1.0 2.0
   56    63    69    75   3.62500 -1.0 2.0
   63    56    86    80   3.62500 -1.0 2.0
   63    56    86    87   3.62500 -1.0 2.0
   63    69   -75    80   3.62500 -1.0 2.0
   63    69    75    82   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    75   3.62500 -1.0 2.0
   69    75    80    81   3.62500 -1.0 2.0
   69    75    80    86   3.62500 -1.0 2.0
   69    75    82    83   0.84100 -1.0 2.0
   70    69    75    80   3.62500 -1.0 2.0
   70    69    75    82   3.62500 -1.0 2.0
   75    80   -86    56   3.62500 -1.0 2.0
   75    80    86    87   3.62500 -1.0 2.0
   80    75    82    83   0.84100 -1.0 2.0
   81    80    86    56   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    56    63    64   3.62500 -1.0 2.0
   86    56   -63    69   3.62500 -1.0 2.0
   82    75    80    81   3.62500 -1.0 2.0
   82    75    80    86   3.62500 -1.0 2.0
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    41    37    40   1.10000 -1.0 2.0
   44    46    40    37   1.10000 -1.0 2.0
   40    45    44    52   1.10000 -1.0 2.0
   57    53    52    44   1.10000 -1.0 2.0
   33    52    57    58  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   38    43    42    50  15.00000 -1.0 2.0
   56    51    50    42  15.00000 -1.0 2.0
   63    86    56    50   4.00000 -1.0 2.0
   69    64    63    56   1.10000 -1.0 2.0
   75    70    69    63   1.10000 -1.0 2.0
   80    82    75    69   4.00000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   80    87    86    56   1.10000 -1.0 2.0
END
