* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    152    255     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02088    86.03964   -75.29034
    3     1 S   H    _H1_     3     1.02074    94.21336    33.18686
    4     1 S   H    _H2_     4     1.02155    33.46236   151.39913
    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     1.08612   109.94660   179.10082
   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   _C12    36     1.82942    97.77975  -178.15453
   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   CO4  _C13    37     1.52313   110.23796   160.02885
   38    37 S   O    _O34    38     1.22791   123.73420   -17.14616
   39    33 S   CT   _C11    51     1.53807   111.94495   -74.94148
   40    39 S   HC   _H3_    52     1.08146   109.74622    67.23606
   41    33 S   OH   _O35    80     1.42882   109.34994    44.99767
   42    41 S   HO   _H8_    81     0.96983   106.59899    58.29245
   43    37 S   CA   _C7_    39     1.48322   116.98907   166.00318
   44    39 S   CT   _C14    53     1.53139   115.73776   -53.67600
   45    44 S   HC   _H9_    54     1.09702   107.62011    55.56519
   46    43 S   CA   _C6_    40     1.39978   119.35196   166.20671
   47    46 S   HA   _H6_    41     1.08653   121.31512     2.23528
   48    44 S   CT   _C15    55     1.53255   110.50916   -62.76408
   49    48 S   HC   _H10    56     1.09742   109.91954    60.62851
   50    48 S   HC   _H11    57     1.09748   110.03585   -56.74563
   51    46 S   CA   _C5_    42     1.39534   120.08516  -178.35218
   52    51 S   HA   _H5_    43     1.08574   119.94378  -179.72589
   53    48 S   CT   _C16    58     1.52812   111.55277  -178.15104
   54    53 S   HC   _H12    59     1.09718   109.35867   177.23445
   55    53 S   HC   _H13    60     1.09732   109.25843   -66.56276
   56    51 S   CA   _C4_    44     1.39320   120.09929    -0.04846
   57    56 S   HA   _H4_    45     1.08545   119.97253   179.56659
   58    53 S   CT   _C17    61     1.53789   111.41927    55.34655
   59    58 S   HC   _H14    62     1.09747   109.10504    65.23924
   60    56 S   CA   _C9_    46     1.39511   120.04715    -0.23573
   61    60 S   HA   _H7_    47     1.08658   118.63544   179.44786
   62    58 S   CA   _C20    63     1.49478   110.12676  -177.11174
   63    58 S   CT   _C18    74     1.53813   110.91481   -54.93295
   64    63 S   HC   _H15    75     1.09803   110.12048   -66.44378
   65    63 S   HC   _H16    76     1.09739   110.06116   176.51002
   66    43 S   CA   _C8_    48     1.39785   120.82810   -12.69114
   67    62 S   CA   _C21    64     1.39528   120.02239   -90.06100
   68    67 S   HA   _H19    65     1.08724   120.45482     0.05234
   69    44 S   CT   _C19    77     1.53251   110.44581   173.91253
   70    69 S   HC   _H17    78     1.09683   110.02500    56.89578
   71    69 S   HC   _H18    79     1.09645   110.02922   -60.53684
   72    66 S   CO4  _C10    49     1.48154   120.96619    -3.25546
   73    72 S   O    _O33    50     1.22764   120.41706   172.41889
   74    67 S   CA   _C22    66     1.39437   120.02022  -179.94405
   75    74 S   HA   _H20    67     1.08695   119.21759   179.97202
   76    74 S   CA   _C23    68     1.39490   120.01101     0.02798
   77    76 S   Cl   Cl1_    69     1.72061   120.04222  -180.00000
   78    76 S   CA   _C24    70     1.39528   119.96878    -0.02798
   79    78 S   HA   _H21    71     1.08743   120.77942  -180.00000
   80    62 S   CA   _C25    72     1.39490   120.00887    90.00169
   81    80 S   HA   _H22    73     1.08686   120.43443    -0.10835
  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  13   5  18   8   4   1  10  17   9   8   4  13
   6   5   6   3  11   5   4   5   3  14   7   4   2  13   7   4
   3   2   8   4   3   1   1   1   1   6   3   5   3   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    72    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    66    72    73    39    40    44    45    48    69    41    42  
   35    36  
   36  
    0  
   38    43    46    47    51    60    66    72    39    40    44    41    42  
   43    46    66    39    41  
   40    44    45    48    49    50    53    63    69    70    71    41    42    43    60    66    72    73  
   44    45    48    69    41    66    72    73  
   42    43    44    72  
    0  
   46    47    51    52    56    60    61    66    72    73  
   45    48    49    50    53    54    55    58    63    64    65    69    70    71    66    72    73  
   48    49    50    53    63    69    70    71    72  
   47    51    52    56    57    60    66    72  
   51    52    56    66  
   49    50    53    54    55    58    59    62    63    69    70    71    72  
   50    53    54    55    58    69  
   53    54    55    58    69  
   52    56    57    60    61    66  
   56    57    60  
   54    55    58    59    62    67    80    63    64    65    69  
   55    58    59    62    63  
   58    59    62    63  
   57    60    61    66    72  
   60    61    66  
   59    62    67    68    74    78    80    81    63    64    65    69    70    71  
   62    67    80    63    64    65    69  
   61    66    72    73  
   66    72  
   67    68    74    75    76    78    79    80    81    63    64    65    69  
   64    65    69    70    71    67    80  
   65    69    70    71  
   69    70    71  
   72    73  
   68    74    75    76    77    78    80    81  
   74    75    76    80  
   70    71    72  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.7500   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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
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  1.522
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    46   469.000  1.400
   43    66   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    72   310.000  1.470
   72    73   570.000  1.229
   72    39   317.000  1.522
   39    40   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    69   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.510
   58    63   268.000  1.529
   62    67   469.000  1.400
   62    80   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   41    42   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    72    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    58.35000  112.70000
   33    41    42    55.00000  108.50000
   37    43    46    60.00000  119.52600
   37    43    66    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    46    47    35.00000  120.00000
   43    46    51    63.00000  120.00000
   43    66    60    63.00000  120.00000
   43    66    72    60.00000  119.52600
   46    51    52    35.00000  120.00000
   46    51    56    63.00000  120.00000
   51    46    47    35.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    60    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    66    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    66    72    60.00000  119.52600
   66    43    46    63.00000  120.00000
   66    60    61    35.00000  120.00000
   66    72    73    75.00000  123.78400
   66    72    39    65.00000  115.47100
   72    39    40    35.00000  109.50000
   72    39    44    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    72    73    80.00000  120.40000
   39    44    45    37.50000  110.70000
   39    44    48    58.35000  112.70000
   39    44    69    58.35000  112.70000
   44    39    40    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    58.35000  112.70000
   44    69    63    58.35000  112.70000
   44    69    70    37.50000  110.70000
   44    69    71    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    62    70.00000  112.17500
   53    58    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    62    67    70.00000  120.00000
   58    62    80    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    58.35000  112.70000
   62    58    59    35.00000  109.50000
   62    67    68    35.00000  120.00000
   62    67    74    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    81    35.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   74    67    68    35.00000  120.00000
   74    76    77    75.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    75.00000  120.00000
   78    80    81    35.00000  120.00000
   80    62    67    63.00000  120.00000
   80    78    79    35.00000  120.00000
   63    58    59    37.50000  110.70000
   63    58    62    70.00000  112.17500
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    44    45    37.50000  110.70000
   69    44    48    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   41    33    37    90.00000  109.61100
   41    33    39    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    72   0.56750  1.0 1.0
   29    33    39    72  -0.07550 -1.0 2.0
   29    33    39    72   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    46   2.26350  1.0 1.0
   33    37    43    46   0.76750 -1.0 2.0
   33    37    43    46   0.22500  1.0 3.0
   33    37    43    66   2.26350  1.0 1.0
   33    37    43    66   0.76750 -1.0 2.0
   33    37    43    66   0.22500  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    69   0.56750  1.0 1.0
   33    39    44    69  -0.07550 -1.0 2.0
   33    39    44    69   0.20000  1.0 3.0
   37    33    39    72   0.11950  1.0 1.0
   37    33    39    72   0.20300 -1.0 2.0
   37    33    39    72  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.95700  1.0 1.0
   37    33    39    44  -0.18200 -1.0 2.0
   37    33    39    44   0.29450  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    46    47   3.62500 -1.0 2.0
   37    43    46    51   3.62500 -1.0 2.0
   37    43    66    60   3.62500 -1.0 2.0
   37    43   -66    72   3.62500 -1.0 2.0
   38    37    43    46   1.05000 -1.0 2.0
   38    37    43    66   1.05000 -1.0 2.0
   43    46    51    52   3.62500 -1.0 2.0
   43    46    51    56   3.62500 -1.0 2.0
   43    66    72    73   1.05000 -1.0 2.0
   43    66    72    39   2.26350  1.0 1.0
   43    66    72    39   0.76750 -1.0 2.0
   43    66    72    39   0.22500  1.0 3.0
   46    43    66    60   3.62500 -1.0 2.0
   46    43    66    72   3.62500 -1.0 2.0
   46    51    56    57   3.62500 -1.0 2.0
   46    51   -56    60   3.62500 -1.0 2.0
   47    46    51    52   3.62500 -1.0 2.0
   47    46    51    56   3.62500 -1.0 2.0
   51    56    60    61   3.62500 -1.0 2.0
   51    56    60    66   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    60   3.62500 -1.0 2.0
   56    60   -66    43   3.62500 -1.0 2.0
   56    60    66    72   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    66   3.62500 -1.0 2.0
   60    66    72    73   1.05000 -1.0 2.0
   60    66    72    39   2.26350  1.0 1.0
   60    66    72    39   0.76750 -1.0 2.0
   60    66    72    39   0.22500  1.0 3.0
   61    60    66    43   3.62500 -1.0 2.0
   61    60    66    72   3.62500 -1.0 2.0
   66    43    46    47   3.62500 -1.0 2.0
   66    43   -46    51   3.62500 -1.0 2.0
   66    72   -39    33   0.05850 -1.0 2.0
   66    72   -39    33   0.17250  1.0 3.0
   66    72    39    40   0.00000  1.0 1.0
   66    72    39    44   0.05850 -1.0 2.0
   66    72    39    44   0.17250  1.0 3.0
   72    39    44    45  -0.11250  1.0 3.0
   72    39    44    48  -0.95700  1.0 1.0
   72    39    44    48  -0.18200 -1.0 2.0
   72    39    44    48   0.29450  1.0 3.0
   72    39    44    69  -0.95700  1.0 1.0
   72    39    44    69  -0.18200 -1.0 2.0
   72    39    44    69   0.29450  1.0 3.0
   73    72    39    33   0.30150 -1.0 2.0
   73    72    39    40   0.00000  1.0 1.0
   73    72    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    44    48    49   0.15000  1.0 3.0
   39    44    48    50   0.15000  1.0 3.0
   39    44    48    53   0.56750  1.0 1.0
   39    44    48    53  -0.07550 -1.0 2.0
   39    44    48    53   0.20000  1.0 3.0
   39    44    69    63   0.56750  1.0 1.0
   39    44    69    63  -0.07550 -1.0 2.0
   39    44    69    63   0.20000  1.0 3.0
   39    44    69    70   0.15000  1.0 3.0
   39    44    69    71   0.15000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    69   0.15000  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    58   0.56750  1.0 1.0
   44    48    53    58  -0.07550 -1.0 2.0
   44    48    53    58   0.20000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    69    63   0.15000  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   45    44    69    71   0.15000  1.0 3.0
   48    44    69    63   0.56750  1.0 1.0
   48    44    69    63  -0.07550 -1.0 2.0
   48    44    69    63   0.20000  1.0 3.0
   48    44    69    70   0.15000  1.0 3.0
   48    44    69    71   0.15000  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    62  -0.03700  1.0 1.0
   48    53    58    62   0.37200 -1.0 2.0
   48    53    58    62  -0.47300  1.0 3.0
   48    53   -58    63   0.56750  1.0 1.0
   48    53   -58    63  -0.07550 -1.0 2.0
   48    53   -58    63   0.20000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   53    58    62    67   0.04150 -1.0 2.0
   53    58    62    80   0.04150 -1.0 2.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    69   0.56750  1.0 1.0
   53    58    63    69  -0.07550 -1.0 2.0
   53    58    63    69   0.20000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    62   0.43200  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    62   0.43200  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   58    62    67    68   3.62500 -1.0 2.0
   58    62    67    74   3.62500 -1.0 2.0
   58    62    80    78   3.62500 -1.0 2.0
   58    62    80    81   3.62500 -1.0 2.0
   58    63   -69    44   0.56750  1.0 1.0
   58    63   -69    44  -0.07550 -1.0 2.0
   58    63   -69    44   0.20000  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    71   0.15000  1.0 3.0
   59    58    62    67   0.00000  1.0 1.0
   59    58    62    80   0.00000  1.0 1.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   62    58    63    64   0.43200  1.0 3.0
   62    58    63    65   0.43200  1.0 3.0
   62    58    63    69  -0.03700  1.0 1.0
   62    58    63    69   0.37200 -1.0 2.0
   62    58    63    69  -0.47300  1.0 3.0
   62    67    74    75   3.62500 -1.0 2.0
   62    67    74    76   3.62500 -1.0 2.0
   67    62    80    78   3.62500 -1.0 2.0
   67    62    80    81   3.62500 -1.0 2.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74   -76    78   3.62500 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    62   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    62    67    68   3.62500 -1.0 2.0
   80    62   -67    74   3.62500 -1.0 2.0
   63    58    62    67   0.04150 -1.0 2.0
   63    58    62    80   0.04150 -1.0 2.0
   64    63    69    44   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   65    63    69    44   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   69    44    48    49   0.15000  1.0 3.0
   69    44    48    50   0.15000  1.0 3.0
   69    44   -48    53   0.56750  1.0 1.0
   69    44   -48    53  -0.07550 -1.0 2.0
   69    44   -48    53   0.20000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    72  -0.09450  1.0 1.0
   41    33    39    72  -1.12950 -1.0 2.0
   41    33    39    72   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   0.86500  1.0 1.0
   41    33    39    44  -0.17500 -1.0 2.0
   41    33    39    44   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    43    37    38  10.50000 -1.0 2.0
   46    66    43    37   4.00000 -1.0 2.0
   51    47    46    43   1.10000 -1.0 2.0
   56    52    51    46   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   66    61    60    56   1.10000 -1.0 2.0
   60    72    66    43   4.00000 -1.0 2.0
   66    39    72    73  10.50000 -1.0 2.0
   67    80    62    58   4.00000 -1.0 2.0
   74    68    67    62   1.10000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    62   1.10000 -1.0 2.0
END
