* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    151    227     443
    1     0 S   NP   _N1_     1    29.24930   101.34949   -20.19167
    2     1 S   H    _HN1     2     1.02924    56.56845   128.25018
    3     1 S   H    _H1_     3     1.02763   122.85888  -141.48582
    4     1 S   H    _H2_     4     1.02916    50.57799   -53.73912
    5     1 S   CT   _CA1     5     1.49999   124.76603    35.26710
    6     5 S   HC   _HA1     6     1.09414   104.94684   120.87661
    7     5 S   CO3  _C1_     7     1.53931   112.58153     0.31652
    8     7 S   O2Z  _O11     8     1.26423   114.95059   -36.23500
    9     7 S   O2Z  _O12     9     1.26208   115.16014   143.16524
   10     5 S   CT   _CB1    10     1.53248   108.00317  -120.65702
   11    10 S   HC   HB11    11     1.09810   110.20233   -40.40517
   12    10 S   HC   HB12    12     1.09777   110.33940    76.62180
   13    10 S   CT   _CG1    13     1.53101   111.97035  -160.79458
   14    13 S   HC   HG11    14     1.09531   110.99644   -59.46032
   15    13 S   HC   HG12    15     1.09616   109.18465    59.35866
   16    13 S   C    _CD1    16     1.51826   112.43745  -179.24671
   17    16 S   O    _OE1    17     1.22768   123.05582    24.17023
   18    16 S   N    _N2_    18     1.38546   112.02907  -157.50824
   19    18 S   H    _HN2    19     1.01511   119.06631     6.46023
   20    18 S   CT1  _CA2    20     1.45870   122.96351  -179.22772
   21    20 S   HC   _HA2    21     1.09714   108.71140    33.03968
   22    20 S   C    _C2_    22     1.53003   107.20897   -84.35609
   23    22 S   O    _O2_    23     1.22968   123.08311   -26.89160
   24    20 S   CT   _CB2    32     1.53385   112.02970   156.49223
   25    24 S   HC   HB21    33     1.09423   109.20618    55.35977
   26    24 S   HC   HB22    34     1.09475   110.24014   173.09573
   27    22 S   N    _N3_    24     1.38490   112.48419   155.97666
   28    27 S   H    _HN3    25     1.01647   120.36396    -2.48648
   29    24 S   S    _SG2    35     1.83404   111.44771   -67.25327
   30    27 S   CT   _CA3    26     1.45353   122.52285   178.44657
   31    30 S   HC   HA31    27     1.09566   107.88688   -54.29807
   32    30 S   HC   HA32    28     1.09560   107.55564    62.06315
   33    29 S   CT   _C10    36     1.89587   101.88374   151.38806
   34    30 S   CO3  _C3_    29     1.52898   114.27078  -176.22779
   35    34 S   O2Z  _O31    30     1.26342   116.04043     0.53229
   36    34 S   O2Z  _O32    31     1.26434   114.42368  -179.52112
   37    33 S   CT   _C5_    37     1.57971   109.47124    52.95876
   38    37 S   HC   _H3_    38     1.10038   107.48061   -73.33736
   39    33 S   CM   _C11    60     1.55677   107.72540   -62.43570
   40    39 S   HC   _H11    61     1.08839   114.73568   142.46950
   41    37 S   CO4  _C6_    39     1.52606   110.54639   172.30555
   42    41 S   O    _O33    40     1.23169   121.16190   134.97525
   43    37 S   CT   _C4_    56     1.53415   119.90129    47.12965
   44    43 S   HC   _H4_    57     1.09177   113.29941    81.61933
   45    43 S   HC   _H5_    58     1.09105   113.73157   -42.96904
   46    43 S   HC   _H6_    59     1.09771   109.00721  -161.67044
   47    39 S   CM   _C12    62     1.34688   127.67342   -36.02859
   48    47 S   HC   _H12    63     1.08868   117.92414    -3.35018
   49    41 S   CT   _C7_    41     1.50817   117.58276   -49.69464
   50    49 S   HC   _H7_    42     1.09587   108.57080   171.54390
   51    49 S   HC   _H8_    43     1.09371   108.98330   -71.96735
   52    47 S   CM   _C13    64     1.46558   127.42314   175.19005
   53    49 S   CT   _C8_    44     1.51987   110.84498    51.51762
   54    53 S   HC   _H9_    45     1.09821   108.44863    68.69020
   55    53 S   HC   _H10    46     1.09784   108.64736  -176.83343
   56    52 S   CM   _C14    65     1.34991   117.66443  -178.97283
   57    56 S   HC   _H13    66     1.09133   118.09320    -2.72943
   58    52 S   CT   _C21    81     1.50667   117.65531    -0.84811
   59    58 S   HC   _H20    82     1.09566   110.53343   -60.82126
   60    58 S   HC   _H21    83     1.09217   113.64163   178.92735
   61    58 S   HC   _H22    84     1.09585   110.45725    59.55722
   62    33 S   CT   _C9_    47     1.60249   110.71621   177.16206
   63    56 S   CM   _C15    67     1.45047   128.15188   174.54052
   64    63 S   HC   _H14    68     1.08312   118.10810    -2.15322
   65    62 S   CT   _C22    48     1.55054   113.99754   -52.87150
   66    65 S   HC   _H23    49     1.09435   112.17009    62.97667
   67    65 S   HC   _H24    50     1.08740   113.46876   -59.62941
   68    65 S   HC   _H25    51     1.09747   110.56202  -178.45833
   69    62 S   CT   _C23    52     1.55543   112.94945    66.67448
   70    69 S   HC   _H26    53     1.09440   112.01996   -56.81490
   71    69 S   HC   _H27    54     1.09723   110.82953  -176.18761
   72    69 S   HC   _H28    55     1.09407   112.33377    65.52116
   73    63 S   CM   _C16    69     1.34394   121.64372  -179.28591
   74    73 S   HC   _H15    70     1.08968   117.72969    -3.05627
   75    73 S   CM   _C17    71     1.46304   127.33304   175.35860
   76    75 S   CM   _C18    72     1.34682   118.15099  -178.92626
   77    76 S   HC   _H16    73     1.09101   120.05505     0.26244
   78    75 S   CT   _C20    77     1.50642   117.91480    -1.09450
   79    78 S   HC   _H17    78     1.09539   110.45999    65.86240
   80    78 S   HC   _H18    79     1.09305   113.35007  -173.62748
   81    78 S   HC   _H19    80     1.09587   110.66056   -54.57848
   82    76 S   CO3  _C19    74     1.52665   124.49609   177.83237
   83    82 S   O2Z  _O35    75     1.26249   115.94759    60.91852
   84    82 S   O2Z  _O34    76     1.26524   114.12108  -120.90408
  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  12   5   4   3
  26   2   1   1  17   9  12   4  12   5   5   2   1   1  10   3
   8   5   4   9  11   4   3  10   4   4   2   1   1   8   6   3
   7   3   2   1   3   2   1   1   9   3   9   8   4   4   2   1
   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    53    62    65    69    43    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    53    54    55    62    65    66    67    68    69    70    71    72    43    44    45    46    39    40    47    48    52  
   35    36  
   36  
    0  
   38    41    42    49    50    51    53    62    65    69    43    44    45    46    39    40    47  
   41    42    49    62    43    44    45    46    39  
   40    47    48    52    56    58    41    43    53    62    65    69  
   47    48    52    62  
   42    49    50    51    53    54    55    62    43    44    45    46  
   49    50    51    53    43  
   44    45    46    49    62  
   45    46  
   46  
    0  
   48    52    56    57    63    58    59    60    61    62  
   52    56    58  
   50    51    53    54    55    62    65    69  
   51    53    54    55    62  
   53    54    55    62  
   56    57    63    64    73    58    59    60    61  
   54    55    62    65    66    67    68    69    70    71    72  
   55    62    65    69  
   62    65    69  
   57    63    64    73    74    75    58    59    60    61  
   63    64    73    58  
   59    60    61    63  
   60    61  
   61  
    0  
   65    66    67    68    69    70    71    72  
   64    73    74    75    76    78  
   73    74    75  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    78    79    80    81  
   77    82    83    84    78    79    80    81  
   82    83    84    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    62   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    65   268.000  1.529
   62    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.080
   39    47   549.000  1.340
   47    48   340.000  1.080
   47    52   380.000  1.444
   52    56   549.000  1.340
   52    58   317.000  1.510
   56    57   340.000  1.080
   56    63   380.000  1.444
   63    64   340.000  1.080
   63    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   230.000  1.545
   82    83   656.000  1.250
   82    84   656.000  1.250
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    62    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    62    53    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    69    58.35000  112.70000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    53    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    65    58.35000  112.70000
   53    62    69    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    62    70.00000  112.02700
   39    47    48    35.00000  120.00000
   39    47    52    70.00000  123.01800
   47    39    40    35.00000  120.00000
   47    52    56    70.00000  123.01800
   47    52    58    70.00000  124.00000
   52    47    48    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    63    70.00000  123.01800
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    73    70.00000  123.01800
   63    56    57    35.00000  120.00000
   63    73    74    35.00000  120.00000
   63    73    75    70.00000  123.01800
   73    63    64    35.00000  120.00000
   73    75    76    70.00000  123.01800
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    82    55.00000  124.75400
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    85.00000  113.83300
   76    82    84    85.00000  113.83300
   82    76    77    40.00000  118.53000
   84    82    83    80.00000  126.00000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   58    52    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    62    53   0.44750  1.0 1.0
   29    33    62    53  -0.17800 -1.0 2.0
   29    33    62    53   0.20200  1.0 3.0
   29    33    62    65   0.44750  1.0 1.0
   29    33    62    65  -0.17800 -1.0 2.0
   29    33    62    65   0.20200  1.0 3.0
   29    33    62    69   0.44750  1.0 1.0
   29    33    62    69  -0.17800 -1.0 2.0
   29    33    62    69   0.20200  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    49   0.60050  1.0 1.0
   33    37    41    49   0.05600 -1.0 2.0
   33    37    41    49   0.26150  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    62    65    66   0.15000  1.0 3.0
   33    62    65    67   0.15000  1.0 3.0
   33    62    65    68   0.15000  1.0 3.0
   33    62    69    70   0.15000  1.0 3.0
   33    62    69    71   0.15000  1.0 3.0
   33    62    69    72   0.15000  1.0 3.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    52   7.00000 -1.0 2.0
   37    33    62    53   0.56750  1.0 1.0
   37    33    62    53  -0.07550 -1.0 2.0
   37    33    62    53   0.20000  1.0 3.0
   37    33    62    65   0.56750  1.0 1.0
   37    33    62    65  -0.07550 -1.0 2.0
   37    33    62    65   0.20000  1.0 3.0
   37    33    62    69   0.56750  1.0 1.0
   37    33    62    69  -0.07550 -1.0 2.0
   37    33    62    69   0.20000  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47   0.09850  1.0 1.0
   37    33    39    47   0.15250 -1.0 2.0
   37    33    39    47  -0.50650  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    53   0.60050  1.0 1.0
   37    41   -49    53   0.05600 -1.0 2.0
   37    41   -49    53   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    49    53    54  -0.11250  1.0 3.0
   41    49    53    55  -0.11250  1.0 3.0
   41    49    53    62  -0.95700  1.0 1.0
   41    49    53    62  -0.18200 -1.0 2.0
   41    49    53    62   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    53   0.30150 -1.0 2.0
   49    53   -62    33   0.56750  1.0 1.0
   49    53   -62    33  -0.07550 -1.0 2.0
   49    53   -62    33   0.20000  1.0 3.0
   49    53    62    65   0.56750  1.0 1.0
   49    53    62    65  -0.07550 -1.0 2.0
   49    53    62    65   0.20000  1.0 3.0
   49    53    62    69   0.56750  1.0 1.0
   49    53    62    69  -0.07550 -1.0 2.0
   49    53    62    69   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.15000  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70   0.15000  1.0 3.0
   53    62    69    71   0.15000  1.0 3.0
   53    62    69    72   0.15000  1.0 3.0
   54    53    62    33   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.15000  1.0 3.0
   55    53    62    33   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
   55    53    62    69   0.15000  1.0 3.0
   62    33    37    38   0.15000  1.0 3.0
   62    33   -37    41  -0.95700  1.0 1.0
   62    33   -37    41  -0.18200 -1.0 2.0
   62    33   -37    41   0.29450  1.0 3.0
   62    33    37    43   0.56750  1.0 1.0
   62    33    37    43  -0.07550 -1.0 2.0
   62    33    37    43   0.20000  1.0 3.0
   62    33    39    40   0.00000  1.0 1.0
   62    33    39    47   0.09850  1.0 1.0
   62    33    39    47   0.15250 -1.0 2.0
   62    33    39    47  -0.50650  1.0 3.0
   65    62    69    70   0.15000  1.0 3.0
   65    62    69    71   0.15000  1.0 3.0
   65    62    69    72   0.15000  1.0 3.0
   69    62    65    66   0.15000  1.0 3.0
   69    62    65    67   0.15000  1.0 3.0
   69    62    65    68   0.15000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    49   0.60050  1.0 1.0
   43    37    41    49   0.05600 -1.0 2.0
   43    37    41    49   0.26150  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.98800  1.0 1.0
   39    33    37    41   0.48800 -1.0 2.0
   39    33    37    41   0.76800  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    62    53   0.34400  1.0 1.0
   39    33    62    53   0.09450 -1.0 2.0
   39    33    62    53   0.11100  1.0 3.0
   39    33    62    65   0.34400  1.0 1.0
   39    33    62    65   0.09450 -1.0 2.0
   39    33    62    65   0.11100  1.0 3.0
   39    33    62    69   0.34400  1.0 1.0
   39    33    62    69   0.09450 -1.0 2.0
   39    33    62    69   0.11100  1.0 3.0
   39    47    52    56   0.28850  1.0 1.0
   39    47    52    56   2.61350 -1.0 2.0
   39    47    52    56   0.78400  1.0 3.0
   39    47    52    58  -0.18600  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    52   7.00000 -1.0 2.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    63   7.00000 -1.0 2.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   47    52    58    61   0.00000  1.0 1.0
   48    47    52    56  -0.18600  1.0 3.0
   48    47    52    58   0.00000  1.0 1.0
   52    56    63    64  -0.18600  1.0 3.0
   52    56    63    73   0.28850  1.0 1.0
   52    56    63    73   2.61350 -1.0 2.0
   52    56    63    73   0.78400  1.0 3.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    61   0.00000  1.0 1.0
   56    63    73    74   7.00000 -1.0 2.0
   56    63    73    75   7.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    73  -0.18600  1.0 3.0
   63    73    75    76   0.28850  1.0 1.0
   63    73    75    76   2.61350 -1.0 2.0
   63    73    75    76   0.78400  1.0 3.0
   63    73    75    78  -0.18600  1.0 3.0
   64    63    73    74   7.00000 -1.0 2.0
   64    63    73    75   7.00000 -1.0 2.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76  -0.18600  1.0 3.0
   74    73    75    78   0.00000  1.0 1.0
   75    76    82    83  -0.04000 -1.0 2.0
   75    76    82    83  -0.29050  1.0 3.0
   75    76    82    84  -0.04000 -1.0 2.0
   75    76    82    84  -0.29050  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    63   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   52    48    47    39  15.00000 -1.0 2.0
   47    58    52    56  15.00000 -1.0 2.0
   63    57    56    52  15.00000 -1.0 2.0
   56    64    63    73  15.00000 -1.0 2.0
   75    74    73    63  15.00000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
   83    76    82    84  10.50000 -1.0 2.0
END
