* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    148    225     437
    1     0 S   NP   _N1_     1    28.63943    93.84782   -24.02607
    2     1 S   H    _HN1     2     1.02788   108.87749   -93.08857
    3     1 S   H    _H1_     3     1.02949    86.50688    15.13645
    4     1 S   H    _H2_     4     1.02828    21.83498   175.79816
    5     1 S   CT   _CA1     5     1.50117   126.70321   128.10212
    6     5 S   HC   _HA1     6     1.09573   105.18604    76.38193
    7     5 S   CO3  _C1_     7     1.53785   112.46042   -43.84999
    8     7 S   O2Z  _O11     8     1.26375   115.00650   -42.55973
    9     7 S   O2Z  _O12     9     1.26238   114.94877   136.53368
   10     5 S   CT   _CB1    10     1.53073   107.41547  -165.63340
   11    10 S   HC   HB11    11     1.09835   109.37179   -49.54010
   12    10 S   HC   HB12    12     1.09812   110.45334    67.06905
   13    10 S   CT   _CG1    13     1.52995   112.60802  -170.49866
   14    13 S   HC   HG11    14     1.09578   110.66133   -65.98260
   15    13 S   HC   HG12    15     1.09670   109.75989    53.25370
   16    13 S   C    _CD1    16     1.51801   112.16631   173.72158
   17    16 S   O    _OE1    17     1.22738   123.26548     8.43824
   18    16 S   N    _N2_    18     1.38650   111.71596  -171.65160
   19    18 S   H    _HN2    19     1.01580   118.96020     1.58461
   20    18 S   CT1  _CA2    20     1.46194   123.39293   177.33766
   21    20 S   HC   _HA2    21     1.09738   109.34151     4.94534
   22    20 S   C    _C2_    22     1.53612   108.77889  -110.57390
   23    22 S   O    _O2_    23     1.23076   122.23206  -148.56221
   24    20 S   CT   _CB2    32     1.53437   111.62847   126.93467
   25    24 S   HC   HB21    33     1.09492   109.60298    56.20710
   26    24 S   HC   HB22    34     1.09374   109.78587   174.88258
   27    22 S   N    _N3_    24     1.38307   113.80330    38.91171
   28    27 S   H    _HN3    25     1.01568   119.61216    -3.24612
   29    24 S   S    _SG2    35     1.83152   111.23179   -64.35567
   30    27 S   CT   _CA3    26     1.45283   123.23426   177.17922
   31    30 S   HC   HA31    27     1.09548   107.51237   -64.74186
   32    30 S   HC   HA32    28     1.09557   107.98898    51.70260
   33    29 S   CT   _C11    36     1.89655   101.67189  -168.67267
   34    30 S   CO3  _C3_    29     1.52965   114.07044   173.71288
   35    34 S   O2Z  _O31    30     1.26378   116.07931    -0.19979
   36    34 S   O2Z  _O32    31     1.26428   114.41027   179.85735
   37    33 S   CT   _C10    37     1.56660   105.85471    67.59481
   38    37 S   HC   _H11    38     1.09907   110.17271     6.96889
   39    37 S   HC   _H12    39     1.09268   107.62970  -105.50596
   40    33 S   CT   _C12    62     1.58217   109.13304   -54.20935
   41    40 S   HC   _H6_    63     1.09563   109.38204    70.40847
   42    33 S   CT   _C15    77     1.54060   102.67652  -172.74853
   43    42 S   HC   _H18    78     1.09621   112.20293    60.46522
   44    42 S   HC   _H19    79     1.09633   111.99242   -59.93166
   45    42 S   HC   _H20    80     1.09332   111.94740   179.96574
   46    37 S   CT   _C9_    40     1.54503   118.28011   127.86948
   47    46 S   HC   _H5_    41     1.09281   111.95574    32.74659
   48    40 S   OH   _O33    64     1.44401   108.97185   -44.32977
   49    48 S   HO   _H17    65     0.97177   108.16607   -67.47777
   50    46 S   CT   _C8_    42     1.54031   112.98354   158.48618
   51    50 S   HC   _H4_    43     1.09951   110.19210    32.21949
   52    50 S   CM   _C17    44     1.49612    99.86046   144.58078
   53    50 S   CT   _C7_    51     1.55332   113.88298   -91.95342
   54    53 S   HC   _H3_    52     1.09474   109.22233   -77.58926
   55    52 S   CO4  _C16    45     1.47707   108.95420   -21.63916
   56    55 S   O    _O35    46     1.21760   127.00887  -169.78845
   57    52 S   CM   _C18    48     1.33639   130.17493   157.03963
   58    57 S   HC   _H21    49     1.08397   121.50001     1.12135
   59    57 S   HC   _H22    50     1.08558   121.62709  -179.22671
   60    53 S   CM   _C6_    53     1.50551   109.40963    46.05370
   61    60 S   HC   _H10    54     1.08970   114.60515    70.47314
   62    53 S   OS   _O36    70     1.44580   108.05741   163.74462
   63    46 S   OS   _O34    47     1.44205   108.20689   -84.70549
   64    60 S   CM   _C5_    55     1.34640   125.93145   -98.03415
   65    62 S   CO4  _C19    71     1.36361   117.09162   155.98395
   66    65 S   O    _O37    72     1.22310   126.43963    -0.00000
   67    64 S   CT   _C14    56     1.50803   119.38306   162.21879
   68    67 S   HC   _H15    57     1.09706   111.65333    12.99087
   69    67 S   HC   _H16    58     1.09830   107.49247   128.00386
   70    64 S   CT   _C4_    66     1.50555   124.77023   -15.05017
   71    70 S   HC   _H7_    67     1.09329   111.13738   103.59988
   72    70 S   HC   _H8_    68     1.09252   112.98214   -18.13016
   73    70 S   HC   _H9_    69     1.09557   109.98773  -136.58251
   74    65 S   CT   _C20    73     1.49834   109.46192  -179.90721
   75    74 S   HC   _H23    74     1.09289   109.83320   -60.79816
   76    74 S   HC   _H24    75     1.09378   109.36293  -179.83449
   77    74 S   HC   _H25    76     1.09292   109.81242    61.11408
   78    67 S   CT   _C13    59     1.53954   114.06977  -111.58031
   79    78 S   HC   _H13    60     1.10078   104.95471  -154.14114
   80    78 S   HC   _H14    61     1.09388   111.76950   -42.45359
  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  13   5   4   3
  19   2   1   1  18   7   6  15   7   6   2   1   1  12   6   5
   1  15   8  10  13   5   5   2   3   1   1  12   4   7   1  10
   5   4   9   5   4   4   2   1   1   3   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    78    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    63    67    78    79    80    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    55    63    53    78    40    41    48    42    43    44    45  
   39    46    47    50    63    40    42  
   46    47    50    63    40    42  
   41    48    49    42    43    44    45    46    64    67    68    69    78    79    80  
   48    49    42    67    78    79    80  
   43    44    45    46    48    78  
   44    45  
   45  
    0  
   47    50    51    52    55    56    63    57    53    54    60    62  
   50    51    52    55    63    53  
   49    67    78    79    80  
   78  
   51    52    55    56    63    57    58    59    53    54    60    61    64    62    65  
   52    55    63    57    53    54    60    62  
   55    56    63    57    58    59    53    54    60    62  
   54    60    61    64    67    70    62    65    66    74    55    57    63  
   60    61    64    62    65  
   56    63    57    58    59  
   63    57  
   58    59    63  
   59  
    0  
   61    64    67    68    69    78    70    71    72    73    62    65  
   64    67    70    62  
   65    66    74    75    76    77    64  
    0  
   67    68    69    78    79    80    70    71    72    73  
   66    74    75    76    77  
   74    75    76    77  
   68    69    78    79    80    70    71    72    73  
   69    78    79    80    70  
   78    79    80    70  
   71    72    73    78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   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
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   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    63   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    63   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   317.000  1.510
   53    62   320.000  1.410
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    67   317.000  1.510
   64    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    65   214.000  1.327
   65    66   570.000  1.229
   65    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    78    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    58.35000  112.70000
   37    46    63    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    70.00000  112.02700
   46    50    53    58.35000  112.70000
   46    63    55    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    70.00000  112.02700
   50    53    62    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    63    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   63    46    47    35.00000  109.50000
   63    46    50    50.00000  109.50000
   63    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    35.00000  117.00000
   53    60    64    70.00000  124.00000
   53    62    65    83.00000  116.90000
   60    53    54    35.00000  109.50000
   60    64    67    70.00000  124.00000
   60    64    70    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    78    70.00000  112.02700
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   67    78    79    37.50000  110.70000
   67    78    80    37.50000  110.70000
   67    78    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   78    67    68    37.50000  110.70000
   78    67    69    37.50000  110.70000
   78    40    41    37.50000  110.70000
   78    40    48    50.00000  109.50000
   80    78    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   70    64    67    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    60    85.00000  110.90400
   62    65    66    83.00000  123.40000
   62    65    74    81.00000  111.40000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   74    65    66    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  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    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.56750  1.0 1.0
   33    37    46    50  -0.07550 -1.0 2.0
   33    37    46    50   0.20000  1.0 3.0
   33    37    46    63   0.62750  1.0 1.0
   33    37    46    63  -0.30950 -1.0 2.0
   33    37    46    63   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    78   0.56750  1.0 1.0
   37    33    40    78  -0.07550 -1.0 2.0
   37    33    40    78   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.15000  1.0 3.0
   37    46    50    52   0.34400  1.0 1.0
   37    46    50    52   0.09450 -1.0 2.0
   37    46    50    52   0.11100  1.0 3.0
   37    46    50    53   0.56750  1.0 1.0
   37    46    50    53  -0.07550 -1.0 2.0
   37    46    50    53   0.20000  1.0 3.0
   37    46    63    55  -0.25900  1.0 1.0
   37    46    63    55  -0.47000 -1.0 2.0
   37    46    63    55   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    63   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    63   0.23400  1.0 3.0
   46    50   -52    55   0.09700  1.0 1.0
   46    50   -52    55   0.15600 -1.0 2.0
   46    50   -52    55  -0.50800  1.0 3.0
   46    50    52    57   0.09850  1.0 1.0
   46    50    52    57   0.15250 -1.0 2.0
   46    50    52    57  -0.50650  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    60   0.34400  1.0 1.0
   46    50    53    60   0.09450 -1.0 2.0
   46    50    53    60   0.11100  1.0 3.0
   46    50    53    62   0.62750  1.0 1.0
   46    50    53    62  -0.30950 -1.0 2.0
   46    50    53    62   0.27300  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    63    55   0.08050  1.0 3.0
   50    46   -63    55  -0.25900  1.0 1.0
   50    46   -63    55  -0.47000 -1.0 2.0
   50    46   -63    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    63  -0.15000  1.0 1.0
   50    52   -55    63   0.89550 -1.0 2.0
   50    52   -55    63  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.00000  1.0 1.0
   50    53    60    64   0.09850  1.0 1.0
   50    53    60    64   0.15250 -1.0 2.0
   50    53    60    64  -0.50650  1.0 3.0
   50    53    62    65  -0.25900  1.0 1.0
   50    53    62    65  -0.47000 -1.0 2.0
   50    53    62    65   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    62   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.31000  1.0 1.0
   52    50    53    60   0.14700 -1.0 2.0
   52    50    53    60   0.07550  1.0 3.0
   52    50    53    62   0.61850  1.0 1.0
   52    50    53    62  -0.22750 -1.0 2.0
   52    50    53    62   0.15300  1.0 3.0
   52    55   -63    46   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    63    46   3.00000 -1.0 2.0
   63    46    50    51   0.23400  1.0 3.0
   63    46   -50    52   0.61850  1.0 1.0
   63    46   -50    52  -0.22750 -1.0 2.0
   63    46   -50    52   0.15300  1.0 3.0
   63    46    50    53   0.62750  1.0 1.0
   63    46    50    53  -0.30950 -1.0 2.0
   63    46    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    63  -0.56150  1.0 1.0
   57    52    55    63   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    64    67   7.00000 -1.0 2.0
   53    60    64    70   7.00000 -1.0 2.0
   53    62    65    66   3.00000 -1.0 2.0
   53    62    65    74   1.63150  1.0 1.0
   53    62    65    74   2.92000 -1.0 2.0
   54    53    60    61   0.33100  1.0 3.0
   54    53    60    64   0.00000  1.0 1.0
   54    53    62    65   0.08050  1.0 3.0
   60    53    62    65  -0.82050  1.0 1.0
   60    53    62    65   0.00600 -1.0 2.0
   60    53    62    65   0.04400  1.0 3.0
   60    64    67    68   0.00000  1.0 1.0
   60    64    67    69   0.00000  1.0 1.0
   60    64    67    78   0.09850  1.0 1.0
   60    64    67    78   0.15250 -1.0 2.0
   60    64    67    78  -0.50650  1.0 3.0
   60    64    70    71   0.00000  1.0 1.0
   60    64    70    72   0.00000  1.0 1.0
   60    64    70    73   0.00000  1.0 1.0
   61    60    64    67   7.00000 -1.0 2.0
   61    60    64    70   7.00000 -1.0 2.0
   64    67    78    79   0.15000  1.0 3.0
   64    67    78    80   0.15000  1.0 3.0
   64    67    78    40   0.34400  1.0 1.0
   64    67    78    40   0.09450 -1.0 2.0
   64    67    78    40   0.11100  1.0 3.0
   67    64    70    71   0.34800  1.0 3.0
   67    64    70    72   0.34800  1.0 3.0
   67    64    70    73   0.34800  1.0 3.0
   67    78    40    33   0.56750  1.0 1.0
   67    78    40    33  -0.07550 -1.0 2.0
   67    78    40    33   0.20000  1.0 3.0
   67    78    40    41   0.15000  1.0 3.0
   67    78    40    48   0.86500  1.0 1.0
   67    78    40    48  -0.17500 -1.0 2.0
   67    78    40    48   0.20800  1.0 3.0
   68    67    78    79   0.15000  1.0 3.0
   68    67    78    80   0.15000  1.0 3.0
   68    67    78    40   0.15000  1.0 3.0
   69    67    78    79   0.15000  1.0 3.0
   69    67    78    80   0.15000  1.0 3.0
   69    67    78    40   0.15000  1.0 3.0
   78    40    48    49  -0.11600  1.0 1.0
   78    40    48    49  -0.09450 -1.0 2.0
   78    40    48    49   0.21250  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.15000  1.0 3.0
   79    78    40    48   0.23400  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    41   0.15000  1.0 3.0
   80    78    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   70    64    67    68   0.34800  1.0 3.0
   70    64    67    69   0.34800  1.0 3.0
   70    64    67    78   0.46850  1.0 1.0
   70    64    67    78   0.08550 -1.0 2.0
   70    64    67    78   0.09800  1.0 3.0
   62    53    60    61   0.00000  1.0 1.0
   62    53    60    64   0.39000  1.0 1.0
   62    53    60    64  -0.05800 -1.0 2.0
   62    53    60    64  -0.55150  1.0 3.0
   62    65    74    75   0.00000  1.0 1.0
   62    65    74    76   0.00000  1.0 1.0
   62    65    74    77   0.00000  1.0 1.0
   66    65    74    75   0.00000  1.0 1.0
   66    65    74    76   0.00000  1.0 1.0
   66    65    74    77   0.00000  1.0 1.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    78   0.56750  1.0 1.0
   42    33    40    78  -0.07550 -1.0 2.0
   42    33    40    78   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   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
   50    55    52    57   1.10000 -1.0 2.0
   52    63    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   53    61    60    64   1.10000 -1.0 2.0
   67    70    64    60   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
END
