* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    153    244     457
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02155    81.98483   -81.11438
    3     1 S   H    _H1_     3     1.02057    97.38626    26.80499
    4     1 S   H    _H2_     4     1.02120    35.04125   139.04114
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01782
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80803    98.58951  -178.15942
   34    33 S   HC   _H18    37     1.09376   109.20339   -59.23545
   35    33 S   HC   _H19    38     1.09368   109.38238    58.91711
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CM   _C17    39     1.48792   110.05279  -179.96574
   40    39 S   CM   _C16    40     1.33718   129.41443   -89.66149
   41    40 S   OS   _O34    41     1.38942   114.86414  -176.33751
   42    40 S   OH   _O35    82     1.37044   126.05697     1.45817
   43    42 S   HO   _H20    83     0.96728   110.52824   179.98022
   44    41 S   CT   _C9_    42     1.44855   104.23465   -15.13394
   45    44 S   HC   _H5_    43     1.09867   106.39423   -95.34238
   46    39 S   CT   _C8_    44     1.50099   122.39401    94.95553
   47    46 S   HC   _H4_    45     1.09923   106.46691    74.97558
   48    44 S   CT   _C10    60     1.54356   109.49328   144.81548
   49    48 S   HC   _H6_    61     1.09884   108.97704   -61.12438
   50    46 S   CT   _C7_    46     1.53475   114.99779   -46.60119
   51    50 S   HC   _H3_    47     1.10277   110.33218   -34.95762
   52    50 S   CT   _C6_    48     1.53375   114.99575  -157.69452
   53    52 S   HC   _H11    49     1.09898   109.06859  -160.73041
   54    52 S   HC   _H12    50     1.09425   109.12678    85.18489
   55    50 S   OS   _O36    70     1.43211   107.74397    81.17475
   56    52 S   CM   _C5_    51     1.51223   114.15244   -37.99838
   57    55 S   CO4  _C19    71     1.35957   115.62236  -148.55692
   58    57 S   O    _O37    72     1.22271   125.94624     0.07662
   59    56 S   CT   _C11    52     1.51483   119.12666    85.17843
   60    59 S   HC   _H7_    53     1.10312   107.74666   179.01384
   61    56 S   CM   _C4_    67     1.34360   120.08982   -96.61787
   62    61 S   HC   _H9_    68     1.07933   120.28275   179.97202
   63    61 S   HC   _H10    69     1.07953   120.34495    -0.07913
   64    57 S   CM   _C20    73     1.49093   109.60574  -179.89165
   65    59 S   CT   _C12    54     1.53562   113.87360    61.41238
   66    65 S   HC   _H13    55     1.09544   113.13754   -50.69898
   67    65 S   HC   _H14    56     1.09664   111.68360    69.71263
   68    64 S   CM   _C21    74     1.34132   116.90085   179.92087
   69    68 S   HC   _H21    75     1.08517   120.79945  -179.50862
   70    68 S   HC   _H22    76     1.08475   122.75613     0.45241
   71    64 S   CT   _C22    77     1.49998   120.94741     0.92788
   72    71 S   HC   _H23    78     1.09560   111.64804   -61.07921
   73    71 S   HC   _H24    79     1.09455   110.84366   178.73576
   74    65 S   CT   _C13    57     1.52455   104.04723  -170.41015
   75    74 S   HC   _H8_    58     1.09557   110.93460   -89.12290
   76    71 S   OH   _O38    80     1.42163   109.45294    58.41390
   77    76 S   HO   _H25    81     0.97074   106.77017   179.96044
   78    74 S   CM   _C14    59     1.50515   103.76536    29.33290
   79    74 S   OH   _O33    65     1.41610   110.72709   148.91768
   80    79 S   HO   _H17    66     0.97279   107.03220    65.07712
   81    78 S   CM   _C15    62     1.33924   123.68203   177.68066
   82    81 S   HC   _H15    63     1.08098   120.50289    -5.86538
   83    81 S   HC   _H16    64     1.08154   120.51924   174.02309
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  16   7  13   5  17
   7  11   6  11   5   4   6  10   9   3  12   6   3   1   1   8
   8   5   4   6   2   1   4   3   2   7   4   1   1   5   2   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    50    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    50    51    52    48    55    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    59    78    48    49    42    43  
   43    44    46  
    0  
   45    46    47    50    51    52    56    59    60    65    74    78    48    49    81    55  
   46    47    50    59    78    48    49  
   47    50    51    52    53    54    56    59    78    48    49    55    57  
   50    51    52    48    55  
   49    81    82    83    79    61    50    52    56    59    60    65    66    67    74    75    78  
   81    56    59    60    65    74    78  
   51    52    53    54    56    59    61    55    57    58    64  
   52    53    54    56    55    57  
   53    54    56    59    60    65    61    62    63    55    57  
   54    56    59    61    55  
   56    59    61    55  
   57    58    64    68    71    56  
   59    60    65    66    67    74    78    61    62    63  
   58    64    68    69    70    71    72    73    76  
   64    68    71  
   60    65    66    67    74    75    78    81    79    61    62    63  
   65    66    67    74    78    61  
   62    63    65  
   63  
    0  
   68    69    70    71    72    73    76    77  
   66    67    74    75    78    81    79    80  
   67    74    75    78    79  
   74    75    78    79  
   69    70    71    72    73    76  
   70    71  
   71  
   72    73    76    77  
   73    76    77  
   76    77  
   75    78    81    82    83    79    80  
   78    81    79    80  
   77  
    0  
   81    82    83    79    80  
   80    81  
    0  
   82    83  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    59   317.000  1.510
   56    61   549.000  1.340
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    48   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    78   317.000  1.510
   74    79   320.000  1.410
   78    48   317.000  1.510
   78    81   549.000  1.340
   48    49   340.000  1.090
   81    82   340.000  1.080
   81    83   340.000  1.080
   79    80   553.000  0.945
   61    62   340.000  1.080
   61    63   340.000  1.080
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    64   320.000  1.462
   64    68   549.000  1.340
   64    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   320.000  1.410
   76    77   553.000  0.945
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    50    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    59    58.35000  112.70000
   44    48    78    70.00000  112.02700
   44    48    49    37.50000  110.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    58.35000  112.70000
   46    50    55    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    55    57    83.00000  116.90000
   52    50    51    37.50000  110.70000
   52    56    59    65.00000  117.92700
   52    56    61    70.00000  124.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    59    60    35.00000  109.50000
   56    59    65    70.00000  112.02700
   56    59    48    70.00000  112.02700
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    74    58.35000  112.70000
   59    48    78    70.00000  112.02700
   59    48    49    37.50000  110.70000
   65    59    60    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    78    70.00000  112.02700
   65    74    79    50.00000  109.50000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    78    48    65.00000  117.92700
   74    78    81    70.00000  124.00000
   74    79    80    55.00000  108.50000
   78    74    75    35.00000  109.50000
   78    48    49    35.00000  109.50000
   78    81    82    35.00000  120.00000
   78    81    83    35.00000  120.00000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    59    60    37.50000  110.70000
   48    59    65    58.35000  112.70000
   81    78    48    70.00000  124.00000
   83    81    82    35.00000  117.00000
   79    74    75    35.00000  109.50000
   79    74    78    90.00000  110.39200
   61    56    59    70.00000  124.00000
   63    61    62    35.00000  117.00000
   55    50    51    35.00000  109.50000
   55    50    52    50.00000  109.50000
   55    57    58    83.00000  123.40000
   55    57    64    90.00000  111.29400
   57    64    68    65.00000  118.96000
   57    64    71    65.00000  116.34900
   64    57    58    80.00000  123.72100
   64    68    69    35.00000  120.00000
   64    68    70    35.00000  120.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    76    90.00000  110.39200
   70    68    69    35.00000  117.00000
   71    64    68    70.00000  124.00000
   71    76    77    55.00000  108.50000
   73    71    72    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    35.00000  109.50000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    50   0.46850  1.0 1.0
   33    39    46    50   0.08550 -1.0 2.0
   33    39    46    50   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.34400  1.0 1.0
   39    46    50    52   0.09450 -1.0 2.0
   39    46    50    52   0.11100  1.0 3.0
   39    46    50    55   0.61850  1.0 1.0
   39    46    50    55  -0.22750 -1.0 2.0
   39    46    50    55   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    59   0.62750  1.0 1.0
   41    44    48    59  -0.30950 -1.0 2.0
   41    44    48    59   0.27300  1.0 3.0
   41    44    48    78   0.61850  1.0 1.0
   41    44    48    78  -0.22750 -1.0 2.0
   41    44    48    78   0.15300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.56750  1.0 1.0
   44    46    50    52  -0.07550 -1.0 2.0
   44    46    50    52   0.20000  1.0 3.0
   44    46    50    55   0.62750  1.0 1.0
   44    46    50    55  -0.30950 -1.0 2.0
   44    46    50    55   0.27300  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    59   0.15000  1.0 3.0
   45    44    48    78   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    59   0.56750  1.0 1.0
   46    44    48    59  -0.07550 -1.0 2.0
   46    44    48    59   0.20000  1.0 3.0
   46    44    48    78   0.34400  1.0 1.0
   46    44    48    78   0.09450 -1.0 2.0
   46    44    48    78   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    52    53   0.15000  1.0 3.0
   46    50    52    54   0.15000  1.0 3.0
   46    50    52    56   0.34400  1.0 1.0
   46    50    52    56   0.09450 -1.0 2.0
   46    50    52    56   0.11100  1.0 3.0
   46    50    55    57  -0.25900  1.0 1.0
   46    50    55    57  -0.47000 -1.0 2.0
   46    50    55    57   0.11750  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    55   0.23400  1.0 3.0
   50    52    56    59   0.46850  1.0 1.0
   50    52    56    59   0.08550 -1.0 2.0
   50    52    56    59   0.09800  1.0 3.0
   50    52    56    61   0.09850  1.0 1.0
   50    52    56    61   0.15250 -1.0 2.0
   50    52    56    61  -0.50650  1.0 3.0
   50    55    57    58   3.00000 -1.0 2.0
   50    55    57    64   2.00000 -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    56   0.15000  1.0 3.0
   51    50    55    57   0.08050  1.0 3.0
   52    50    55    57  -0.25900  1.0 1.0
   52    50    55    57  -0.47000 -1.0 2.0
   52    50    55    57   0.11750  1.0 3.0
   52    56    59    60   0.34800  1.0 3.0
   52    56    59    65   0.46850  1.0 1.0
   52    56    59    65   0.08550 -1.0 2.0
   52    56    59    65   0.09800  1.0 3.0
   52    56    59    48   0.46850  1.0 1.0
   52    56    59    48   0.08550 -1.0 2.0
   52    56    59    48   0.09800  1.0 3.0
   52    56    61    62   7.00000 -1.0 2.0
   52    56    61    63   7.00000 -1.0 2.0
   53    52    56    59   0.34800  1.0 3.0
   53    52    56    61   0.00000  1.0 1.0
   54    52    56    59   0.34800  1.0 3.0
   54    52    56    61   0.00000  1.0 1.0
   56    59    65    66   0.15000  1.0 3.0
   56    59    65    67   0.15000  1.0 3.0
   56    59    65    74   0.34400  1.0 1.0
   56    59    65    74   0.09450 -1.0 2.0
   56    59    65    74   0.11100  1.0 3.0
   56    59    48    44   0.34400  1.0 1.0
   56    59    48    44   0.09450 -1.0 2.0
   56    59    48    44   0.11100  1.0 3.0
   56    59    48    78   0.31000  1.0 1.0
   56    59    48    78   0.14700 -1.0 2.0
   56    59    48    78   0.07550  1.0 3.0
   56    59    48    49   0.15000  1.0 3.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   59    65    74    75   0.15000  1.0 3.0
   59    65   -74    78   0.34400  1.0 1.0
   59    65   -74    78   0.09450 -1.0 2.0
   59    65   -74    78   0.11100  1.0 3.0
   59    65    74    79   0.86500  1.0 1.0
   59    65    74    79  -0.17500 -1.0 2.0
   59    65    74    79   0.20800  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    74   0.15000  1.0 3.0
   60    59    48    44   0.15000  1.0 3.0
   60    59    48    78   0.15000  1.0 3.0
   60    59    48    49   0.15000  1.0 3.0
   65    59    48    44   0.56750  1.0 1.0
   65    59    48    44  -0.07550 -1.0 2.0
   65    59    48    44   0.20000  1.0 3.0
   65    59   -48    78   0.34400  1.0 1.0
   65    59   -48    78   0.09450 -1.0 2.0
   65    59   -48    78   0.11100  1.0 3.0
   65    59    48    49   0.15000  1.0 3.0
   65    74   -78    48   0.46850  1.0 1.0
   65    74   -78    48   0.08550 -1.0 2.0
   65    74   -78    48   0.09800  1.0 3.0
   65    74    78    81   0.09850  1.0 1.0
   65    74    78    81   0.15250 -1.0 2.0
   65    74    78    81  -0.50650  1.0 3.0
   65    74    79    80  -0.11600  1.0 1.0
   65    74    79    80  -0.09450 -1.0 2.0
   65    74    79    80   0.21250  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    78   0.15000  1.0 3.0
   66    65    74    79   0.23400  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    78   0.15000  1.0 3.0
   67    65    74    79   0.23400  1.0 3.0
   74    78    48    44   0.46850  1.0 1.0
   74    78    48    44   0.08550 -1.0 2.0
   74    78    48    44   0.09800  1.0 3.0
   74    78   -48    59   0.46850  1.0 1.0
   74    78   -48    59   0.08550 -1.0 2.0
   74    78   -48    59   0.09800  1.0 3.0
   74    78    48    49   0.34800  1.0 3.0
   74    78    81    82   7.00000 -1.0 2.0
   74    78    81    83   7.00000 -1.0 2.0
   75    74    78    48   0.34800  1.0 3.0
   75    74    78    81   0.00000  1.0 1.0
   75    74    79    80   0.19450  1.0 3.0
   78    74    79    80  -0.07800  1.0 1.0
   78    74    79    80  -0.21500 -1.0 2.0
   78    74    79    80  -0.03150  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    59    65    66   0.15000  1.0 3.0
   48    59    65    67   0.15000  1.0 3.0
   48    59   -65    74   0.56750  1.0 1.0
   48    59   -65    74  -0.07550 -1.0 2.0
   48    59   -65    74   0.20000  1.0 3.0
   48    78    81    82   7.00000 -1.0 2.0
   48    78    81    83   7.00000 -1.0 2.0
   81    78    48    44   0.09850  1.0 1.0
   81    78    48    44   0.15250 -1.0 2.0
   81    78    48    44  -0.50650  1.0 3.0
   81    78    48    59   0.09850  1.0 1.0
   81    78    48    59   0.15250 -1.0 2.0
   81    78    48    59  -0.50650  1.0 3.0
   81    78    48    49   0.00000  1.0 1.0
   79    74    78    48   0.18000  1.0 1.0
   79    74    78    48   0.16450 -1.0 2.0
   79    74    78    48   0.04450  1.0 3.0
   79    74    78    81   0.67800  1.0 1.0
   79    74    78    81   0.47050 -1.0 2.0
   79    74    78    81  -0.62500  1.0 3.0
   61    56    59    60   0.00000  1.0 1.0
   61    56    59    65   0.09850  1.0 1.0
   61    56    59    65   0.15250 -1.0 2.0
   61    56    59    65  -0.50650  1.0 3.0
   61    56    59    48   0.09850  1.0 1.0
   61    56    59    48   0.15250 -1.0 2.0
   61    56    59    48  -0.50650  1.0 3.0
   55    50    52    53   0.23400  1.0 3.0
   55    50    52    54   0.23400  1.0 3.0
   55    50    52    56   0.61850  1.0 1.0
   55    50    52    56  -0.22750 -1.0 2.0
   55    50    52    56   0.15300  1.0 3.0
   55    57    64    68  -0.56150  1.0 1.0
   55    57    64    68   2.19150 -1.0 2.0
   55    57    64    71  -0.15000  1.0 1.0
   55    57    64    71   0.89550 -1.0 2.0
   55    57    64    71  -0.06900  1.0 3.0
   57    64    68    69   7.00000 -1.0 2.0
   57    64    68    70   7.00000 -1.0 2.0
   57    64    71    72   0.15000  1.0 3.0
   57    64    71    73   0.15000  1.0 3.0
   57    64    71    76   0.09700  1.0 1.0
   57    64    71    76   0.15600 -1.0 2.0
   57    64    71    76  -0.50800  1.0 3.0
   58    57    64    68   1.00000 -1.0 2.0
   58    57    64    71  -0.64400  1.0 1.0
   58    57    64    71   0.26850 -1.0 2.0
   64    71    76    77  -0.07800  1.0 1.0
   64    71    76    77  -0.21500 -1.0 2.0
   64    71    76    77  -0.03150  1.0 3.0
   68    64    71    72   0.00000  1.0 1.0
   68    64    71    73   0.00000  1.0 1.0
   68    64    71    76   0.67800  1.0 1.0
   68    64    71    76   0.47050 -1.0 2.0
   68    64    71    76  -0.62500  1.0 3.0
   71    64    68    69   7.00000 -1.0 2.0
   71    64    68    70   7.00000 -1.0 2.0
   72    71    76    77   0.19450  1.0 3.0
   73    71    76    77   0.19450  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    59    56    61   1.10000 -1.0 2.0
   74    48    78    81   1.10000 -1.0 2.0
   82    83    81    78   1.10000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
   55    64    57    58  10.50000 -1.0 2.0
   57    71    64    68  15.00000 -1.0 2.0
   69    70    68    64  15.00000 -1.0 2.0
END
