* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    153    230     446
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098    39.62038  -149.05903
    3     1 S   H    _H1_     3     1.02109   101.90366   -44.11232
    4     1 S   H    _H2_     4     1.02061    74.61928    62.30629
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C23    36     1.85507   100.89189   179.98022
   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   CT   _C22    37     1.54074   108.98498    80.01618
   38    37 S   HC   _H19    38     1.09743   110.47863    55.73449
   39    37 S   HC   _H20    39     1.09653   110.50722   -63.79059
   40    33 S   OH   _O39    81     1.42594   111.80191   -40.00668
   41    40 S   HO   _H21    82     0.97122   106.73083  -179.76097
   42    33 S   S    _S1_    83     1.85510   107.65539  -161.84015
   43    37 S   CO4  _C21    40     1.53187   115.56063   178.00404
   44    43 S   O    _O38    41     1.22913   122.35911    26.60857
   45    42 S   CT   _C24    84     1.81190   100.94445    81.89150
   46    45 S   HC   _H22    85     1.09306   109.89679  -179.97202
   47    45 S   HC   _H23    86     1.09253   109.87943    60.05114
   48    45 S   HC   _H24    87     1.09300   109.83247   -59.96509
   49    43 S   CT   _C20    42     1.51683   115.32519  -153.81919
   50    49 S   HC   _H17    43     1.09479   106.96856    59.98421
   51    49 S   HC   _H18    44     1.09527   108.45185   -57.72464
   52    49 S   CO4  _C19    45     1.51745   116.64292  -178.49169
   53    52 S   O    _O37    46     1.23003   122.23310    31.50193
   54    52 S   CT   _C18    47     1.52268   115.29442  -150.69839
   55    54 S   HC   _H15    48     1.09401   108.62993  -120.01312
   56    54 S   HC   _H16    49     1.09404   108.70227    -1.61991
   57    54 S   CM   _C9_    50     1.48626   111.36956   119.07002
   58    57 S   CM   _C8_    51     1.35203   125.62012   150.34929
   59    58 S   CT   _C17    52     1.51713   122.16806  -178.71093
   60    59 S   HC   _H3_    53     1.09832   108.85539  -134.00786
   61    58 S   CMA  _C7_    71     1.44908   123.99053     2.48033
   62    61 S   OM   _O40    72     1.26234   110.63075  -140.07311
   63    59 S   CA   _C16    54     1.51251   115.44742   -13.05135
   64    59 S   OH   _O34    69     1.42953   109.09225   107.67587
   65    64 S   HO   _H12    70     0.96843   106.33261   -65.68397
   66    61 S   CM   _C6_    73     1.35250   116.78706    39.99298
   67    66 S   HC   _H7_    74     1.08797   120.66340     0.05595
   68    63 S   CA   _C11    55     1.39973   120.99212    12.75901
   69    66 S   CO4  _C5_    75     1.49656   124.16725   179.92087
   70    69 S   O    _O33    76     1.22817   122.66365     1.57396
   71    68 S   CA   _C12    56     1.40398   119.48563   178.59625
   72    71 S   HA   _H10    57     1.08870   119.78750  -179.41684
   73    57 S   CT   _C10    66     1.51411   112.54652   -29.29325
   74    73 S   HC   _H8_    67     1.09776   108.66905    68.77450
   75    73 S   HC   _H9_    68     1.09814   108.11646   -48.04122
   76    69 S   CT   _C4_    77     1.50740   116.34715   179.97202
   77    76 S   HC   _H4_    78     1.09263   109.34223    89.98377
   78    76 S   HC   _H5_    79     1.09372   109.20293   -30.08658
   79    76 S   HC   _H6_    80     1.09330   111.09529  -148.75801
   80    71 S   CA   _C13    58     1.39397   120.69231     0.72145
   81    80 S   CA   _C14    59     1.39187   119.88437    -0.13706
   82    81 S   HA   _H11    60     1.08620   120.03156   179.97202
   83    80 S   OH   _O36    64     1.36054   120.05081   179.76761
   84    83 S   HO   _H14    65     0.97050   110.29650     0.02798
   85    63 S   CA   _C15    61     1.40552   119.61372  -167.78789
   86    85 S   OH   _O35    62     1.36479   120.95272     0.66382
   87    86 S   HO   _H13    63     0.96904   110.04346  -179.73020
  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   9   5   4   3
  13   2   1   1  12   6   5   4   1   5   7   4   3   2   1   1
   8   4   3   7   4  10   4   3  13  15  13   6   9   3  14   3
   1   7   3  10   5   4  10   4   4   1   1   3   2   1   1   6
   6   3   2   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    49    40    41    42    45    46    47    48  
   35    36  
   36  
    0  
   38    39    43    44    49    50    51    52    40    41    42    45  
   39    43    44    49    40    42  
   43    44    49    40    42  
   41    42    45    43  
   42  
   45    46    47    48    43  
   44    49    50    51    52    53    54  
   49    50    51    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    73  
   54    55    56    57  
   55    56    57    58    59    68    73    74    75    61  
   56    57    58    73  
   57    58    73  
   58    59    60    63    68    71    73    74    75    64    61    62    66  
   59    60    63    68    85    73    74    75    64    65    61    62    66    67    69  
   60    63    68    71    81    85    86    73    64    65    61    62    66  
   63    68    85    64    65    61  
   62    66    67    69    70    76    63    64    73  
   66    67    69  
   68    71    72    80    81    82    85    86    87    73    74    75    64    65  
   65    68    85  
    0  
   67    69    70    76    77    78    79  
   69    70    76  
   71    72    80    81    85    86    83    73    74    75  
   70    76    77    78    79  
   76    77    78    79  
   72    80    81    82    85    83    84    73    74    75  
   80    81    83    73  
   74    75    80    85  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    85    86    83    84  
   82    85    86    87    83    84  
   85    86    83  
   84    85  
    0  
   86    87  
   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   0.600000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   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   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   549.000  1.340
   57    73   317.000  1.510
   58    59   317.000  1.510
   58    61   465.000  1.376
   59    60   340.000  1.090
   59    63   317.000  1.510
   59    64   320.000  1.410
   63    68   469.000  1.400
   63    85   469.000  1.400
   68    71   469.000  1.400
   68    73   317.000  1.510
   71    72   367.000  1.080
   71    80   469.000  1.400
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   450.000  1.364
   86    87   553.000  0.945
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   64    65   553.000  0.945
   61    62   745.000  1.250
   61    66   465.000  1.376
   66    67   340.000  1.080
   66    69   320.000  1.462
   69    70   570.000  1.229
   69    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   40    41   553.000  0.945
   42    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    55.00000  108.50000
   33    42    45    62.00000   98.90000
   37    43    44    80.00000  120.40000
   37    43    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    75.00000  107.99600
   49    43    44    80.00000  120.40000
   49    52    53    80.00000  120.40000
   49    52    54    70.00000  116.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    70.00000  109.06800
   54    52    53    80.00000  120.40000
   54    57    58    70.00000  124.00000
   54    57    73    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    70.00000  124.00000
   57    58    61    70.00000  117.34000
   57    73    68    70.00000  112.99600
   57    73    74    35.00000  109.50000
   57    73    75    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    63    70.00000  112.99600
   58    59    64    90.00000  110.39200
   58    61    62    65.00000  137.10300
   58    61    66    70.00000  123.01800
   59    63    68    70.00000  120.00000
   59    63    85    70.00000  120.00000
   59    64    65    55.00000  108.50000
   63    59    60    35.00000  109.50000
   63    68    71    63.00000  120.00000
   63    68    73    70.00000  120.00000
   63    85    81    63.00000  120.00000
   63    85    86    70.00000  120.00000
   68    71    72    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   71    80    81    63.00000  120.00000
   71    80    83    70.00000  120.00000
   80    71    72    35.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    35.00000  113.00000
   81    85    86    70.00000  120.00000
   85    63    68    63.00000  120.00000
   85    81    82    35.00000  120.00000
   85    86    87    35.00000  113.00000
   83    80    81    70.00000  120.00000
   73    57    58    70.00000  124.00000
   73    68    71    70.00000  120.00000
   75    73    74    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    63    90.00000  112.51600
   61    58    59    70.00000  124.00000
   61    66    67    40.00000  120.50800
   61    66    69    60.00000  125.92000
   66    61    62    65.00000  137.10300
   66    69    70    80.00000  123.72100
   66    69    76    65.00000  118.62400
   69    66    67    40.00000  117.72500
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   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
   29    33    42    45   0.08500  1.0 1.0
   29    33    42    45  -0.53150 -1.0 2.0
   29    33    42    45   0.48050  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    49   0.60050  1.0 1.0
   33    37    43    49   0.05600 -1.0 2.0
   33    37    43    49   0.26150  1.0 3.0
   33    42    45    46   0.32350  1.0 3.0
   33    42    45    47   0.32350  1.0 3.0
   33    42    45    48   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    45   0.01700  1.0 1.0
   37    33    42    45  -0.23550 -1.0 2.0
   37    33    42    45   0.21350  1.0 3.0
   37    43    49    50   0.00000  1.0 1.0
   37    43    49    51   0.00000  1.0 1.0
   37    43    49    52   0.65300  1.0 1.0
   37    43    49    52  -0.03850 -1.0 2.0
   37    43    49    52   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    49   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    49   0.00000  1.0 1.0
   43    49    52    53   0.30150 -1.0 2.0
   43    49    52    54   0.65300  1.0 1.0
   43    49    52    54  -0.03850 -1.0 2.0
   43    49    52    54   0.33900  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.30150 -1.0 2.0
   49    52    54    55   0.00000  1.0 1.0
   49    52    54    56   0.00000  1.0 1.0
   49    52    54    57   0.65300  1.0 1.0
   49    52    54    57  -0.03850 -1.0 2.0
   49    52    54    57   0.33900  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    57    58  -0.51250  1.0 1.0
   52    54    57    58  -0.88800 -1.0 2.0
   52    54    57    58   0.08850  1.0 3.0
   52    54    57    73   0.17250  1.0 1.0
   52    54    57    73  -0.04100 -1.0 2.0
   52    54    57    73  -0.33850  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.30150 -1.0 2.0
   54    57    58    59   7.00000 -1.0 2.0
   54    57    58    61   7.00000 -1.0 2.0
   54    57    73    68   0.09700  1.0 1.0
   54    57    73    68   0.15600 -1.0 2.0
   54    57    73    68  -0.50800  1.0 3.0
   54    57    73    74   0.34800  1.0 3.0
   54    57    73    75   0.34800  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    73   0.34800  1.0 3.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    73   0.34800  1.0 3.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    63   1.44450  1.0 1.0
   57    58    59    63   0.06600 -1.0 2.0
   57    58    59    63   0.29250  1.0 3.0
   57    58    59    64   0.67800  1.0 1.0
   57    58    59    64   0.47050 -1.0 2.0
   57    58    59    64  -0.62500  1.0 3.0
   57    58    61    62   7.00000 -1.0 2.0
   57    58    61    66   7.00000 -1.0 2.0
   58    57    73    68   1.44450  1.0 1.0
   58    57    73    68   0.06600 -1.0 2.0
   58    57    73    68   0.29250  1.0 3.0
   58    57    73    74   0.00000  1.0 1.0
   58    57    73    75   0.00000  1.0 1.0
   58    59   -63    68   0.18050 -1.0 2.0
   58    59    63    85   0.18050 -1.0 2.0
   58    59    64    65  -0.07800  1.0 1.0
   58    59    64    65  -0.21500 -1.0 2.0
   58    59    64    65  -0.03150  1.0 3.0
   58    61    66    67   7.00000 -1.0 2.0
   58    61    66    69   7.00000 -1.0 2.0
   59    58    61    62   7.00000 -1.0 2.0
   59    58    61    66   7.00000 -1.0 2.0
   59    63    68    71   3.62500 -1.0 2.0
   59    63    68    73   3.62500 -1.0 2.0
   59    63    85    81   3.62500 -1.0 2.0
   59    63    85    86   3.62500 -1.0 2.0
   60    59    63    68   0.00000  1.0 1.0
   60    59    63    85   0.00000  1.0 1.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65   0.31900  1.0 1.0
   63    59    64    65  -0.11800 -1.0 2.0
   63    59    64    65   0.38750  1.0 3.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    80   3.62500 -1.0 2.0
   63    68   -73    57   0.18050 -1.0 2.0
   63    68    73    74   0.00000  1.0 1.0
   63    68    73    75   0.00000  1.0 1.0
   63    85    86    87   0.84100 -1.0 2.0
   68    63    85    81   3.62500 -1.0 2.0
   68    63    85    86   3.62500 -1.0 2.0
   68    71   -80    81   3.62500 -1.0 2.0
   68    71    80    83   3.62500 -1.0 2.0
   71    68    73    57   0.18050 -1.0 2.0
   71    68    73    74   0.00000  1.0 1.0
   71    68    73    75   0.00000  1.0 1.0
   71    80    81    82   3.62500 -1.0 2.0
   71    80    81    85   3.62500 -1.0 2.0
   71    80    83    84   0.84100 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    71    80    83   3.62500 -1.0 2.0
   80    81   -85    63   3.62500 -1.0 2.0
   80    81    85    86   3.62500 -1.0 2.0
   81    80    83    84   0.84100 -1.0 2.0
   81    85    86    87   0.84100 -1.0 2.0
   82    81    85    63   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   85    63   -68    71   3.62500 -1.0 2.0
   85    63    68    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    80    81    85   3.62500 -1.0 2.0
   73    57   -58    59   7.00000 -1.0 2.0
   73    57    58    61   7.00000 -1.0 2.0
   73    68    71    72   3.62500 -1.0 2.0
   73    68    71    80   3.62500 -1.0 2.0
   64    59    63    68   0.14300 -1.0 2.0
   64    59    63    68   0.00300  1.0 3.0
   64    59    63    85   0.14300 -1.0 2.0
   64    59    63    85   0.00300  1.0 3.0
   61    58    59    60   0.00000  1.0 1.0
   61    58    59    63   1.44450  1.0 1.0
   61    58    59    63   0.06600 -1.0 2.0
   61    58    59    63   0.29250  1.0 3.0
   61    58    59    64   0.67800  1.0 1.0
   61    58    59    64   0.47050 -1.0 2.0
   61    58    59    64  -0.62500  1.0 3.0
   61    66    69    70   1.00000 -1.0 2.0
   61    66    69    76  -0.33500  1.0 1.0
   61    66    69    76   1.06600 -1.0 2.0
   61    66    69    76  -0.14000  1.0 3.0
   62    61    66    67   7.00000 -1.0 2.0
   62    61    66    69   7.00000 -1.0 2.0
   66    69    76    77   0.00000  1.0 1.0
   66    69    76    78   0.00000  1.0 1.0
   66    69    76    79   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    76   0.04550  1.0 1.0
   67    66    69    76   0.83000 -1.0 2.0
   67    66    69    76  -0.04000  1.0 3.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   70    69    76    79   0.00000  1.0 1.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43  -0.09450  1.0 1.0
   40    33    37    43  -1.12950 -1.0 2.0
   40    33    37    43   0.54000  1.0 3.0
   40    33    42    45   0.13850  1.0 1.0
   40    33    42    45  -1.34450 -1.0 2.0
   40    33    42    45   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  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
   37    49    43    44  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
   54    73    57    58   1.10000 -1.0 2.0
   61    59    58    57   1.10000 -1.0 2.0
   68    85    63    59   4.00000 -1.0 2.0
   71    73    68    63   4.00000 -1.0 2.0
   80    72    71    68   1.10000 -1.0 2.0
   81    83    80    71   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   81    86    85    63   4.00000 -1.0 2.0
   58    62    61    66  15.00000 -1.0 2.0
   69    67    66    61  15.00000 -1.0 2.0
   66    76    69    70  10.50000 -1.0 2.0
END
