* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    151    250     453
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02046    98.14317    24.95200
    3     1 S   H    _H1_     3     1.02132    35.70316   135.80038
    4     1 S   H    _H2_     4     1.02146    80.77512   -82.80107
    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   _C20    36     1.85612    97.06333   161.84989
   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   _C21    37     1.52041   106.88034  -159.97328
   38    33 S   CT   _C19    68     1.54557   112.61756    76.84248
   39    38 S   HC   _H4_    69     1.09616   109.19399  -160.38061
   40    33 S   OH   _O38    81     1.43220   109.96335   -42.60069
   41    40 S   HO   _H15    82     0.96853   106.15428   -56.48241
   42    37 S   CMA  _C22    38     1.36015   126.23050  -110.24891
   43    42 S   OM   _O36    39     1.26770   129.91726   177.32204
   44    38 S   NP   _N5_    70     1.49198   110.53038   -46.77768
   45    44 S   H    _H16    71     1.02229   110.58414   -42.53854
   46    44 S   H    _H17    72     1.02279   110.52109  -162.62289
   47    44 S   H    _H18    73     1.02286   110.51721    77.40359
   48    37 S   C    _C23    76     1.48570   116.14675    69.78741
   49    48 S   O    _O37    77     1.21841   120.90637   -90.01547
   50    42 S   CT   _C16    40     1.55821   118.68828    -2.28559
   51    48 S   N    _N4_    78     1.36693   112.66504    89.92042
   52    51 S   H    _H13    79     1.01489   118.24119     0.07913
   53    51 S   H    _H14    80     1.01503   123.44260   179.98022
   54    50 S   CMA  _C15    41     1.54986   110.23047  -102.79923
   55    54 S   OM   _O35    42     1.22951   122.67327   -26.80348
   56    50 S   OH   _O39    74     1.43661   111.45058   141.28691
   57    56 S   HO   _H19    75     0.96631   105.87593    59.14258
   58    54 S   CM   _C7_    43     1.48984   118.93048   155.50568
   59    58 S   CM   _C6_    44     1.39616   120.60728    -3.46848
   60    59 S   CM   _C5_    45     1.40307   119.15554   179.45824
   61    59 S   CT   _C18    63     1.50094   121.56593     1.95144
   62    61 S   HC   _H11    64     1.09836   107.67743    93.18258
   63    61 S   HC   _H12    65     1.09397   112.36499  -150.54364
   64    60 S   CA   _C10    46     1.40468   121.36886     1.20285
   65    60 S   CT   _C4_    59     1.50197   115.45629  -177.34200
   66    65 S   HC   _H5_    60     1.09381   109.85877   -91.49337
   67    65 S   HC   _H6_    61     1.09394   110.82429    29.02816
   68    65 S   HC   _H7_    62     1.09465   110.75774   148.03564
   69    50 S   CT   _C17    66     1.55074   113.06880    21.27922
   70    69 S   HC   _H3_    67     1.10041   108.15151    67.47409
   71    64 S   CA   _C9_    47     1.41137   119.18902    -0.47888
   72    58 S   CO4  _C8_    48     1.40214   119.24153   177.28099
   73    72 S   O    _O34    49     1.28753   119.79244    -0.36208
   74    71 S   CA   _C14    50     1.40532   119.24426   179.94405
   75    74 S   CA   _C13    51     1.39480   120.67640     0.08847
   76    75 S   HA   _H9_    52     1.08767   120.52679  -179.97202
   77    74 S   OH   _O33    57     1.36752   125.20284  -179.97202
   78    77 S   HO   _H10    58     0.96793   109.92339     0.04423
   79    75 S   CA   _C12    53     1.39078   120.05053    -0.06256
   80    79 S   HA   _H8_    54     1.08836   118.41374  -179.89165
   81    64 S   CA   _C11    55     1.40481   121.44937   179.60238
   82    81 S   Cl   Cl1_    56     1.73948   126.97945    -0.68185
  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
  18   2   1   1  16  18   9   5   1  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  12  15  15   7   3   2  14
   5   2   1   1   1   1  10   5   1   7   7   4   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    69    38    39    44    48    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    50    61    69    70    38    39    44    45    46    47    48    49    51    40    41  
   35    36  
   36  
    0  
   42    43    50    54    69    38    39    44    56    48    49    51    52    53    40    41  
   39    44    45    46    47    56    48    40    41    42    50    54    59    61    62    63    69    70  
   44    45    46    47    40    50    61    69    70  
   41    42    44    48    69  
    0  
   43    50    54    55    58    61    69    70    56    57    48    49    51  
   50    54    69    56    48  
   45    46    47    50    61    69    70  
   46    47    69  
   47    69  
   69  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    72    61    62    63    69    70    56    57  
   52    53  
   53  
    0  
   55    58    59    60    71    72    73    61    69    70    56    57  
   58    59    72    69    56  
   57    58    61    69    70  
   69  
   59    60    64    71    72    73    74    65    61    62    63    69  
   60    64    71    72    73    81    65    66    67    68    61    62    63    69    70  
   64    71    72    74    79    81    82    65    66    67    68    61    62    63    69  
   62    63    69    70    64    65    72  
   63    69    70  
   69    70  
   71    72    73    74    75    79    80    81    82    77    65    66    67    68  
   66    67    68    71    81  
   67    68  
   68  
    0  
   70  
    0  
   72    73    74    75    76    79    81    82    77    78  
   73    74    75    81    77  
   74  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82  
   81    82  
   82  
    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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    38   268.000  1.529
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    48   410.000  1.444
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    54   270.000  1.512
   50    69   268.000  1.529
   50    56   320.000  1.410
   54    55   745.000  1.250
   54    58   465.000  1.376
   58    59   380.000  1.444
   58    72   320.000  1.462
   59    60   549.000  1.340
   59    61   317.000  1.510
   60    64   320.000  1.460
   60    65   317.000  1.510
   64    71   469.000  1.400
   64    81   469.000  1.400
   71    72   310.000  1.470
   71    74   469.000  1.400
   72    73   570.000  1.229
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   300.000  1.725
   77    78   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    38   268.000  1.529
   38    39   340.000  1.090
   38    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
   40    41   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    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    48    70.00000  119.70000
   33    38    69    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    80.00000  111.20000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   37    48    49    80.00000  125.30000
   37    48    51    80.00000  111.56200
   42    50    54    70.00000  110.12100
   42    50    69    70.00000  112.02700
   42    50    56    90.00000  110.39200
   50    42    43    85.00000  112.85300
   50    54    55    85.00000  112.85300
   50    54    58    65.00000  122.18000
   50    69    61    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    38    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    70.00000  117.34000
   54    58    72    60.00000  125.92000
   58    54    55    65.00000  137.10300
   58    59    60    70.00000  123.01800
   58    59    61    70.00000  124.00000
   58    72    71    65.00000  117.02400
   58    72    73    80.00000  123.72100
   59    60    64    60.00000  123.20500
   59    60    65    70.00000  124.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    69    70.00000  112.02700
   60    64    71    60.00000  120.93500
   60    64    81    60.00000  120.93500
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    71    72    60.00000  119.52600
   64    71    74    63.00000  120.00000
   64    81    79    63.00000  120.00000
   64    81    82    75.00000  120.00000
   71    72    73    75.00000  123.78400
   71    74    75    63.00000  120.00000
   71    74    77    70.00000  120.00000
   72    58    59    65.00000  118.96000
   74    71    72    60.00000  119.52600
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   75    79    81    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    81    82    75.00000  120.00000
   81    64    71    63.00000  120.00000
   81    79    80    35.00000  120.00000
   77    74    75    70.00000  120.00000
   65    60    64    65.00000  118.87000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    70.00000  124.00000
   61    69    70    37.50000  110.70000
   61    69    38    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    50    54    70.00000  112.02700
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    38    39    37.50000  110.70000
   69    38    44    80.00000  111.20000
   38    33    37    70.00000  112.02700
   38    69    70    37.50000  110.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   44    38    39    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  110.39200
   56    50    69    50.00000  109.50000
   48    37    42    60.00000  120.04000
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    48   0.09700  1.0 1.0
   29    33    37    48   0.15600 -1.0 2.0
   29    33    37    48  -0.50800  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    37    48    49  -0.64400  1.0 1.0
   33    37    48    49   0.26850 -1.0 2.0
   33    37    48    51   1.59650  1.0 1.0
   33    37    48    51   0.42750 -1.0 2.0
   33    37    48    51  -0.48350  1.0 3.0
   33    38    44    45   0.17350  1.0 3.0
   33    38    44    46   0.17350  1.0 3.0
   33    38    44    47   0.17350  1.0 3.0
   37    33    38    69   0.34400  1.0 1.0
   37    33    38    69   0.09450 -1.0 2.0
   37    33    38    69   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44  -0.47300  1.0 1.0
   37    33    38    44   0.29700 -1.0 2.0
   37    33    38    44   0.83300  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    50    54  -0.28300  1.0 1.0
   37    42    50    54   0.26700 -1.0 2.0
   37    42    50    54  -0.63300  1.0 3.0
   37    42   -50    69   0.09850  1.0 1.0
   37    42   -50    69   0.15250 -1.0 2.0
   37    42   -50    69  -0.50650  1.0 3.0
   37    42    50    56   0.67800  1.0 1.0
   37    42    50    56   0.47050 -1.0 2.0
   37    42    50    56  -0.62500  1.0 3.0
   37    48    51    52   2.56700 -1.0 2.0
   37    48    51    53   2.56700 -1.0 2.0
   42    37    48    49   1.00000 -1.0 2.0
   42    37    48    51   0.49500  1.0 1.0
   42    37    48    51   1.31600 -1.0 2.0
   42    37    48    51  -0.02300  1.0 3.0
   42    50    54    55   0.09700  1.0 1.0
   42    50    54    55   0.15600 -1.0 2.0
   42    50    54    55  -0.50800  1.0 3.0
   42    50    54    58  -0.28300  1.0 1.0
   42    50    54    58   0.26700 -1.0 2.0
   42    50    54    58  -0.63300  1.0 3.0
   42    50    69    61   0.34400  1.0 1.0
   42    50    69    61   0.09450 -1.0 2.0
   42    50    69    61   0.11100  1.0 3.0
   42    50    69    70   0.15000  1.0 3.0
   42    50    69    38   0.34400  1.0 1.0
   42    50    69    38   0.09450 -1.0 2.0
   42    50    69    38   0.11100  1.0 3.0
   42    50    56    57  -0.07800  1.0 1.0
   42    50    56    57  -0.21500 -1.0 2.0
   42    50    56    57  -0.03150  1.0 3.0
   43    42    50    54   0.09700  1.0 1.0
   43    42    50    54   0.15600 -1.0 2.0
   43    42    50    54  -0.50800  1.0 3.0
   43    42    50    69   0.09700  1.0 1.0
   43    42    50    69   0.15600 -1.0 2.0
   43    42    50    69  -0.50800  1.0 3.0
   43    42    50    56   0.09700  1.0 1.0
   43    42    50    56   0.15600 -1.0 2.0
   43    42    50    56  -0.50800  1.0 3.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    72   7.00000 -1.0 2.0
   50    69   -38    33   0.56750  1.0 1.0
   50    69   -38    33  -0.07550 -1.0 2.0
   50    69   -38    33   0.20000  1.0 3.0
   50    69    38    39   0.15000  1.0 3.0
   50    69    38    44   1.36600  1.0 1.0
   50    69    38    44  -0.11450 -1.0 2.0
   50    69    38    44   0.24250  1.0 3.0
   54    50    69    61   0.34400  1.0 1.0
   54    50    69    61   0.09450 -1.0 2.0
   54    50    69    61   0.11100  1.0 3.0
   54    50    69    70   0.15000  1.0 3.0
   54    50    69    38   0.34400  1.0 1.0
   54    50    69    38   0.09450 -1.0 2.0
   54    50    69    38   0.11100  1.0 3.0
   54    50    56    57  -0.07800  1.0 1.0
   54    50    56    57  -0.21500 -1.0 2.0
   54    50    56    57  -0.03150  1.0 3.0
   54    58    59    60   0.28850  1.0 1.0
   54    58    59    60   2.61350 -1.0 2.0
   54    58    59    60   0.78400  1.0 3.0
   54    58   -59    61  -0.18600  1.0 3.0
   54    58    72    71  -1.65800  1.0 1.0
   54    58    72    71   0.77650 -1.0 2.0
   54    58    72    73   1.00000 -1.0 2.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    72   7.00000 -1.0 2.0
   58    59    60    64   7.00000 -1.0 2.0
   58    59    60    65   7.00000 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    69   0.98200  1.0 1.0
   58    59    61    69  -0.11900 -1.0 2.0
   58    59    61    69   0.24250  1.0 3.0
   59    58    72    71  -1.65800  1.0 1.0
   59    58    72    71   0.77650 -1.0 2.0
   59    58    72    73   1.00000 -1.0 2.0
   59    60   -64    71   0.15800  1.0 1.0
   59    60   -64    71   1.85350 -1.0 2.0
   59    60   -64    71  -0.48700  1.0 3.0
   59    60    64    81   0.15800  1.0 1.0
   59    60    64    81   1.85350 -1.0 2.0
   59    60    64    81  -0.48700  1.0 3.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   59    61   -69    50   0.34400  1.0 1.0
   59    61   -69    50   0.09450 -1.0 2.0
   59    61   -69    50   0.11100  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    38   0.34400  1.0 1.0
   59    61    69    38   0.09450 -1.0 2.0
   59    61    69    38   0.11100  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    69   0.09850  1.0 1.0
   60    59    61    69   0.15250 -1.0 2.0
   60    59    61    69  -0.50650  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    74   3.62500 -1.0 2.0
   60    64    81    79   3.62500 -1.0 2.0
   60    64    81    82   3.62500 -1.0 2.0
   64    60    65    66   0.77000  1.0 3.0
   64    60    65    67   0.77000  1.0 3.0
   64    60    65    68   0.77000  1.0 3.0
   64    71   -72    58  -0.11500  1.0 1.0
   64    71   -72    58   1.10450 -1.0 2.0
   64    71   -72    58  -0.48050  1.0 3.0
   64    71    72    73   1.05000 -1.0 2.0
   64    71    74    75   3.62500 -1.0 2.0
   64    71    74    77   3.62500 -1.0 2.0
   71    64    81    79   3.62500 -1.0 2.0
   71    64    81    82   3.62500 -1.0 2.0
   71    74    75    76   3.62500 -1.0 2.0
   71    74   -75    79   3.62500 -1.0 2.0
   71    74    77    78   0.84100 -1.0 2.0
   72    58   -59    60  -0.18600  1.0 3.0
   72    58    59    61   1.08500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   72    71    74    77   3.62500 -1.0 2.0
   74    71    72    58  -0.11500  1.0 1.0
   74    71    72    58   1.10450 -1.0 2.0
   74    71    72    58  -0.48050  1.0 3.0
   74    71    72    73   1.05000 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -81    64   3.62500 -1.0 2.0
   75    79    81    82   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.62500 -1.0 2.0
   81    64   -71    74   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   65    60    64    71  -0.02500  1.0 1.0
   65    60    64    71  -0.32150 -1.0 2.0
   65    60    64    71  -0.01500  1.0 3.0
   65    60    64    81  -0.02500  1.0 1.0
   65    60    64    81  -0.32150 -1.0 2.0
   65    60    64    81  -0.01500  1.0 3.0
   61    59    60    64   7.00000 -1.0 2.0
   61    59    60    65   7.00000 -1.0 2.0
   61    69    38    33   0.56750  1.0 1.0
   61    69    38    33  -0.07550 -1.0 2.0
   61    69    38    33   0.20000  1.0 3.0
   61    69    38    39   0.15000  1.0 3.0
   61    69    38    44   1.36600  1.0 1.0
   61    69    38    44  -0.11450 -1.0 2.0
   61    69    38    44   0.24250  1.0 3.0
   62    61    69    50   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    38   0.15000  1.0 3.0
   63    61    69    50   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    38   0.15000  1.0 3.0
   69    50    54    55   0.09700  1.0 1.0
   69    50    54    55   0.15600 -1.0 2.0
   69    50    54    55  -0.50800  1.0 3.0
   69    50   -54    58   0.09850  1.0 1.0
   69    50   -54    58   0.15250 -1.0 2.0
   69    50   -54    58  -0.50650  1.0 3.0
   69    50    56    57  -0.11600  1.0 1.0
   69    50    56    57  -0.09450 -1.0 2.0
   69    50    56    57   0.21250  1.0 3.0
   69    38    44    45   0.17350  1.0 3.0
   69    38    44    46   0.17350  1.0 3.0
   69    38    44    47   0.17350  1.0 3.0
   70    69    38    33   0.15000  1.0 3.0
   70    69    38    39   0.15000  1.0 3.0
   70    69    38    44   0.19200  1.0 3.0
   38    33   -37    42   0.09850  1.0 1.0
   38    33   -37    42   0.15250 -1.0 2.0
   38    33   -37    42  -0.50650  1.0 3.0
   38    33    37    48   0.09700  1.0 1.0
   38    33    37    48   0.15600 -1.0 2.0
   38    33    37    48  -0.50800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   39    38    44    45   0.13050  1.0 3.0
   39    38    44    46   0.13050  1.0 3.0
   39    38    44    47   0.13050  1.0 3.0
   56    50    54    55   0.09700  1.0 1.0
   56    50    54    55   0.15600 -1.0 2.0
   56    50    54    55  -0.50800  1.0 3.0
   56    50    54    58   0.67800  1.0 1.0
   56    50    54    58   0.47050 -1.0 2.0
   56    50    54    58  -0.62500  1.0 3.0
   56    50    69    61   0.86500  1.0 1.0
   56    50    69    61  -0.17500 -1.0 2.0
   56    50    69    61   0.20800  1.0 3.0
   56    50    69    70   0.23400  1.0 3.0
   56    50    69    38   0.86500  1.0 1.0
   56    50    69    38  -0.17500 -1.0 2.0
   56    50    69    38   0.20800  1.0 3.0
   48    37    42    43   7.00000 -1.0 2.0
   48    37    42    50   7.00000 -1.0 2.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    48   0.09700  1.0 1.0
   40    33    37    48   0.15600 -1.0 2.0
   40    33    37    48  -0.50800  1.0 3.0
   40    33    38    69   0.86500  1.0 1.0
   40    33    38    69  -0.17500 -1.0 2.0
   40    33    38    69   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   1.69300  1.0 1.0
   40    33    38    44  -0.48450 -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    48    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    55    54    58   1.10000 -1.0 2.0
   59    72    58    54   1.10000 -1.0 2.0
   58    61    59    60   1.10000 -1.0 2.0
   64    65    60    59   1.10000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   72    74    71    64   4.00000 -1.0 2.0
   58    71    72    73  10.50000 -1.0 2.0
   75    77    74    71   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   81    80    79    75   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -1.0 2.0
   37    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
