* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    149    232     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C18    36     1.80604    98.14668  -178.23764
   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   _C19    37     1.51190   110.83352  -180.00000
   38    33 S   OH   _O35    81     1.42013   111.35718   -58.96976
   39    38 S   HO   _H21    82     0.97127   106.87098    57.65516
   40    37 S   CMA  _C20    38     1.34642   112.03838  -120.28364
   41    40 S   OM   _O33    39     1.25390   137.12432  -179.06623
   42    37 S   CO4  _C21    75     1.45992   123.93819    62.06675
   43    42 S   O    _O34    76     1.23607   120.82903   -32.25279
   44    40 S   NE   _N5_    40     1.37644   108.62394     0.07913
   45    44 S   H    _H17    41     1.01101   121.43212   177.83544
   46    42 S   CT   _C22    77     1.51038   118.23733   147.34651
   47    46 S   HC   _H18    78     1.09244   110.96393    90.02327
   48    46 S   HC   _H19    79     1.09335   109.37957   -29.88181
   49    46 S   HC   _H20    80     1.09306   109.42700  -150.52308
   50    33 S   CT   _C17    42     1.56623   110.74369    66.65293
   51    50 S   HC   _H3_    43     1.09694   112.14578     6.16218
   52    50 S   CT   _C16    44     1.52265   115.40321  -119.71202
   53    52 S   HC   _H15    45     1.09432   109.14529    66.36948
   54    52 S   HC   _H16    46     1.09346   109.59551   -51.33506
   55    52 S   C5B  _C14    47     1.48968   111.88200  -172.68000
   56    55 S   C56B _C13    48     1.45128   128.65775   148.99887
   57    55 S   C5A  _C15    59     1.46615   126.27652   -30.96251
   58    57 S   HA   _H13    60     1.09344   124.44767     0.04846
   59    56 S   CA   _C8_    49     1.37841   134.27868     0.02798
   60    59 S   CA   _C9_    50     1.40003   117.41717   180.00000
   61    60 S   HA   _H10    51     1.08800   120.04293  -179.94405
   62    59 S   CT   _C7_    61     1.48718   122.54449     0.05234
   63    62 S   HC   _H8_    62     1.10522   110.35151    44.97199
   64    62 S   HC   _H9_    63     1.10190   110.50269   158.83514
   65    60 S   CA   _C10    52     1.41112   121.20939    -0.00000
   66    65 S   HA   _H11    53     1.08681   119.29153  -179.97202
   67    62 S   CM   _C6_    64     1.51010   113.06742   -75.40597
   68    67 S   HC   _H7_    65     1.09014   114.05931     2.64056
   69    65 S   CA   _C11    54     1.39766   121.07986     0.02798
   70    69 S   HA   _H12    55     1.08383   120.96671  -179.96044
   71    67 S   CM   _C5_    66     1.34745   128.11962  -178.01890
   72    56 S   C56A _C12    56     1.40438   104.78332  -179.94405
   73    71 S   CT   _C4_    67     1.50199   125.29335  -179.94405
   74    73 S   HC   _H4_    68     1.09208   113.66851    89.96197
   75    73 S   HC   _H5_    69     1.09544   110.02742  -150.10787
   76    73 S   HC   _H6_    70     1.09513   110.05740   -30.85917
   77    71 S   CT   _C23    71     1.50607   120.38336    -0.48133
   78    77 S   HC   _H22    72     1.09608   112.40856    90.00080
   79    77 S   HC   _H23    73     1.09470   110.21587  -149.92372
   80    77 S   HC   _H24    74     1.09462   110.23719   -30.08620
   81    72 S   NA   _N4_    57     1.40136   110.51900    -0.00000
   82    81 S   H    _H14    58     1.01802   123.80836  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  15   7   1   9   4   7   4   7   3   3   2   1
   1   7   4   9   4   3  10  15   6   3  13  10   4   9   4   3
   5   3  10   3   4   2   8   2   7   3   2   1   3   2   1   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    44    50    51    52    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    45    50    51    52    53    54    55    42    43    46    38    39  
   35    36  
   36  
    0  
   40    41    44    45    50    51    52    42    43    46    47    48    49    38    39  
   39    40    42    44    50    51    52  
   50  
   41    44    45    50    51    52    42    43    46  
   44    45    50    42  
   43    46    47    48    49    44    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57  
   52    53    54    55  
   53    54    55    56    59    72    81    57    58  
   54    55    56    57  
   55    56    57  
   56    59    60    69    72    81    82    57    58    62  
   59    60    61    65    69    70    72    81    82    57    58    62    63    64    67  
   58    59    69    72    81    82  
   72    81    82  
   60    61    65    66    69    72    81    62    63    64    67    68    71  
   61    65    66    69    70    72    62    63    64    67  
   65    66    69    62  
   63    64    67    68    71    73    77    65    72  
   64    67    68    71  
   67    68    71  
   66    69    70    72    81  
   69    70    72  
   68    71    73    74    75    76    77    78    79    80  
   71    73    77  
   70    72    81    82  
   72    81  
   73    74    75    76    77    78    79    80  
   81    82  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   82   0.5000   0.0300   0.357700   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   317.000  1.510
   33    50   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   415.000  1.382
   44    45   434.000  1.010
   44    50   382.000  1.448
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   295.000  1.494
   55    56   380.000  1.440
   55    57   520.000  1.370
   56    59   469.000  1.404
   56    72   447.000  1.419
   59    60   469.000  1.400
   59    62   317.000  1.510
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    72   469.000  1.400
   72    81   428.000  1.380
   81    82   434.000  1.010
   81    57   427.000  1.381
   57    58   367.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.510
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    73   317.000  1.510
   71    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    50    44    80.00000  111.61500
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    75.00000  114.40000
   37    42    43    80.00000  123.72100
   37    42    46    65.00000  118.62400
   40    44    45    50.00000  121.48000
   40    44    50    50.00000  121.00000
   44    40    41   105.00000  113.92000
   44    50    51    35.00000  109.50000
   44    50    52    80.00000  111.61500
   50    33    37    70.00000  112.02700
   50    44    45    35.00000  112.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    70.00000  112.62400
   52    50    51    37.50000  110.70000
   52    55    56    55.00000  128.73000
   52    55    57    55.00000  127.77900
   54    52    53    33.00000  107.80000
   55    52    53    45.00000  111.11700
   55    52    54    45.00000  111.11700
   55    56    59    50.00000  134.85500
   55    56    72    80.00000  107.43600
   55    57    81    70.00000  106.30000
   55    57    58    35.00000  130.70000
   56    59    60    63.00000  120.00000
   56    59    62    70.00000  120.00000
   56    72    69    85.00000  122.70000
   56    72    81    70.00000  104.40000
   59    60    61    35.00000  120.00000
   59    60    65    63.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    67    70.00000  112.99600
   60    65    66    35.00000  120.00000
   60    65    69    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    72    85.00000  120.00000
   69    65    66    35.00000  120.00000
   69    72    81    70.00000  132.80000
   72    56    59    85.00000  116.20000
   72    69    70    35.00000  120.00000
   72    81    82    35.00000  123.10000
   72    81    57    90.00000  107.14200
   81    57    58    35.00000  121.60000
   57    55    56    80.00000  105.82900
   57    81    82    35.00000  120.00000
   62    59    60    70.00000  120.00000
   62    67    68    35.00000  117.00000
   62    67    71    70.00000  124.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    71    73    70.00000  124.00000
   67    71    77    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   42    37    40    60.00000  125.92000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    50    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    46   0.25700  1.0 1.0
   33    37    42    46   0.66200 -1.0 2.0
   33    37    42    46   0.04450  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55  -0.03700  1.0 1.0
   33    50    52    55   0.37200 -1.0 2.0
   33    50    52    55  -0.47300  1.0 3.0
   37    33   -50    44   0.21700  1.0 1.0
   37    33   -50    44   0.68550 -1.0 2.0
   37    33   -50    44  -0.27950  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    44    45   1.00000 -1.0 2.0
   37    40   -44    50  -0.54700  1.0 1.0
   37    40   -44    50   1.23000 -1.0 2.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.00000  1.0 1.0
   37    42    46    49   0.00000  1.0 1.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    46  -0.33500  1.0 1.0
   40    37    42    46   1.06600 -1.0 2.0
   40    37    42    46  -0.14000  1.0 3.0
   40    44   -50    33   0.25450  1.0 1.0
   40    44   -50    33  -0.61700 -1.0 2.0
   40    44   -50    33  -0.23550  1.0 3.0
   40    44    50    51   0.00000  1.0 1.0
   40    44    50    52   0.25450  1.0 1.0
   40    44    50    52  -0.61700 -1.0 2.0
   40    44    50    52  -0.23550  1.0 3.0
   41    40    44    45   1.00000 -1.0 2.0
   41    40    44    50   1.00000 -1.0 2.0
   44    50    52    53   0.22950  1.0 3.0
   44    50    52    54   0.22950  1.0 3.0
   44    50    52    55   0.08550  1.0 1.0
   44    50    52    55   1.07500 -1.0 2.0
   44    50    52    55  -0.10950  1.0 3.0
   45    44    50    33   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    37    42   0.09700  1.0 1.0
   50    33    37    42   0.15600 -1.0 2.0
   50    33    37    42  -0.50800  1.0 3.0
   50    33    38    39  -0.11600  1.0 1.0
   50    33    38    39  -0.09450 -1.0 2.0
   50    33    38    39   0.21250  1.0 3.0
   50    52    55    56   0.04150 -1.0 2.0
   50    52    55    57   0.04150 -1.0 2.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.43200  1.0 3.0
   52    55    56    59   3.62500 -1.0 2.0
   52    55    56    72   3.62500 -1.0 2.0
   52    55    57    81   3.62500 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   55    56    59    60   3.62500 -1.0 2.0
   55    56    59    62   3.62500 -1.0 2.0
   55    56    72    69   3.00000 -1.0 2.0
   55    56   -72    81   3.00000 -1.0 2.0
   56    55   -57    81   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    65   3.62500 -1.0 2.0
   56    59    62    63   0.00000  1.0 1.0
   56    59    62    64   0.00000  1.0 1.0
   56    59    62    67   0.18050 -1.0 2.0
   56    72    81    82   1.52500 -1.0 2.0
   56    72   -81    57   3.62500 -1.0 2.0
   59    56    72    69   3.00000 -1.0 2.0
   59    56    72    81   3.00000 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   59    60   -65    69   3.62500 -1.0 2.0
   59    62    67    68   0.00000  1.0 1.0
   59    62    67    71   1.44450  1.0 1.0
   59    62    67    71   0.06600 -1.0 2.0
   59    62    67    71   0.29250  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    67   0.18050 -1.0 2.0
   60    65    69    70   3.62500 -1.0 2.0
   60    65    69    72   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   65    69   -72    56   3.62500 -1.0 2.0
   65    69    72    81   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    72   3.62500 -1.0 2.0
   69    72    81    82   1.52500 -1.0 2.0
   69    72    81    57   3.62500 -1.0 2.0
   70    69    72    56   3.62500 -1.0 2.0
   70    69    72    81   3.62500 -1.0 2.0
   72    56   -59    60   3.50000 -1.0 2.0
   72    56    59    62   3.62500 -1.0 2.0
   72    81   -57    55   3.62500 -1.0 2.0
   72    81    57    58   3.62500 -1.0 2.0
   82    81    57    55   1.40000 -1.0 2.0
   82    81    57    58   2.00000 -1.0 2.0
   57    55    56    59   3.62500 -1.0 2.0
   57    55   -56    72   3.50000 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   3.62500 -1.0 2.0
   62    67    71    73   7.00000 -1.0 2.0
   62    67    71    77   7.00000 -1.0 2.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    71   0.00000  1.0 1.0
   64    62    67    68   0.33100  1.0 3.0
   64    62    67    71   0.00000  1.0 1.0
   67    71    73    74   0.00000  1.0 1.0
   67    71    73    75   0.00000  1.0 1.0
   67    71    73    76   0.00000  1.0 1.0
   67    71    77    78   0.00000  1.0 1.0
   67    71    77    79   0.00000  1.0 1.0
   67    71    77    80   0.00000  1.0 1.0
   68    67    71    73   7.00000 -1.0 2.0
   68    67    71    77   7.00000 -1.0 2.0
   73    71    77    78   0.34800  1.0 3.0
   73    71    77    79   0.34800  1.0 3.0
   73    71    77    80   0.34800  1.0 3.0
   77    71    73    74   0.34800  1.0 3.0
   77    71    73    75   0.34800  1.0 3.0
   77    71    73    76   0.34800  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    50    44   4.07950  1.0 1.0
   38    33    50    44  -0.26450 -1.0 2.0
   38    33    50    44  -0.12150  1.0 3.0
   38    33    50    51   0.23400  1.0 3.0
   38    33    50    52   0.86500  1.0 1.0
   38    33    50    52  -0.17500 -1.0 2.0
   38    33    50    52   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   45    40    44    50   1.00000 -1.0 2.0
   56    57    55    52   4.00000 -1.0 2.0
   59    72    56    55   4.00000 -1.0 2.0
   60    62    59    56   4.00000 -1.0 2.0
   65    61    60    59   1.10000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   72    70    69    65   1.10000 -1.0 2.0
   69    81    72    56   4.00000 -1.0 2.0
   82    72    81    57   1.00000 -1.0 2.0
   81    58    57    55   1.10000 -1.0 2.0
   62    68    67    71  15.00000 -1.0 2.0
   73    77    71    67  15.00000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
END
