* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    159    247     461
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02066    90.44759   -68.45770
    3     1 S   H    _H1_     3     1.02123    90.16016    40.24751
    4     1 S   H    _H2_     4     1.02140    32.84303   166.19491
    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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97302
   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   _C9_    36     1.83002    99.14729   -78.14200
   34    33 S   HC   _H4_    37     1.09865   107.52568   -41.37860
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C10    38     1.48734   108.23065  -160.01187
   39    33 S   OS   _O35    71     1.43089   110.78985    79.80960
   40    38 S   CM   _C11    39     1.33760   130.29989   -92.86202
   41    39 S   CO   _C7_    72     1.42237   112.80245  -149.26071
   42    41 S   HC   _H3_    73     1.09534   110.02509    60.01844
   43    40 S   OS   _O36    40     1.39223   115.17401  -179.91844
   44    40 S   OH   _O38    69     1.37112   125.84590    -0.96975
   45    44 S   HO   _H25    70     0.96615   110.40992  -179.95577
   46    41 S   CM   _C6_    74     1.47561   109.64016  -176.96404
   47    46 S   HC   _H11    75     1.08126   124.04946   -60.23720
   48    43 S   CT   _C12    41     1.43728   104.83483    -8.04572
   49    48 S   HC   _H5_    42     1.09166   109.48555  -109.41082
   50    46 S   CM   _C5_    76     1.33054   111.41810   120.18847
   51    48 S   CM   _C16    43     1.49950   111.46442   126.22846
   52    50 S   CO4  _C8_    77     1.46778   106.41800    -0.35332
   53    52 S   O    _O34    78     1.21922   125.53072  -179.88809
   54    50 S   CT   _C4_    80     1.47825   129.84011   179.92087
   55    54 S   HC   _H8_    81     1.09411   110.63840    89.96211
   56    54 S   HC   _H9_    82     1.09596   110.60979   -30.27813
   57    54 S   HC   _H10    83     1.09527   110.52866  -149.84591
   58    51 S   CM   _C15    44     1.34174   111.23123  -111.29054
   59    41 S   OS   _O33    79     1.43037   112.06195   -62.34295
   60    58 S   CT   _C14    45     1.49461   112.93797     1.27303
   61    60 S   HC   _H12    46     1.09180   111.58682   114.08147
   62    60 S   HC   _H13    47     1.09356   109.84333  -125.32732
   63    58 S   CT   _C20    50     1.49280   124.94901  -177.97377
   64    63 S   HC   _H7_    51     1.09210   108.73875   134.78308
   65    38 S   CT   _C13    48     1.48919   120.95523    86.77417
   66    65 S   HC   _H6_    49     1.09007   110.47285   -54.27609
   67    63 S   CT   _C19    52     1.53332   112.10084    12.71229
   68    67 S   HC   _H16    53     1.09721   110.37191  -163.80850
   69    67 S   HC   _H17    54     1.09691   109.21302    80.87817
   70    63 S   OH   _O37    67     1.42614   109.16089  -107.74010
   71    70 S   HO   _H18    68     0.96983   106.63986  -179.94766
   72    67 S   CT   _C18    55     1.53362   111.72335   -40.77103
   73    72 S   HC   _H14    56     1.10006   108.03519   179.92338
   74    72 S   HC   _H15    57     1.09862   109.19848   -65.16305
   75    51 S   CT   _C17    58     1.51419   124.66836    70.27904
   76    75 S   CT   _C21    59     1.53879   112.04950   -47.43035
   77    76 S   HC   _H19    60     1.08477   109.14930   179.98022
   78    76 S   HC   _H20    61     1.08371   109.14699    59.96010
   79    76 S   HC   _H21    62     1.08449   109.14430   -60.05510
   80    75 S   CT   _C22    63     1.54149   108.87601    72.55115
   81    80 S   HC   _H22    64     1.08481   109.19102   179.98022
   82    80 S   HC   _H23    65     1.08434   109.21219    60.00040
   83    80 S   HC   _H24    66     1.08440   109.20687   -60.02662
  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   7   5   4   3
  14   5   2   1   1  15   9   9   8   5  10   3   1   9   4  13
   6   7  22   6   2   4   2   1   1  16   1   9   4   3  11   6
   2   1  10   6   5   2   1  11   4   3   8   7   3   2   1   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    65    39    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    43    48    60    65    66    44    39    41    42    46    59  
   38    40    65    39    41  
   36    37  
   37  
    0  
   40    43    48    49    51    58    60    61    62    65    66    44    45    39    41  
   41    42    46    47    50    52    59    40    65  
   43    48    49    51    60    65    66    44    45  
   42    46    47    50    52    53    59    54  
   46    47    50    52    59  
   48    49    51    58    60    65    66    75    44    45  
   45    48    65  
    0  
   47    50    52    53    59    54    55    56    57  
   50    52    59    54  
   49    51    58    60    61    62    65    66    63    72    75    76    80  
   51    58    60    65    66    75  
   52    53    59    54    55    56    57  
   58    60    61    62    65    66    63    64    67    72    73    74    75    76    77    78    79    80    81    82    83    70  
   53    59    54    55    56    57  
   59    54  
   55    56    57    59  
   56    57  
   57  
    0  
   60    61    62    65    66    63    64    67    68    69    72    75    76    80    70    71  
    0  
   61    62    65    66    63    64    67    75    70  
   62    65    66    63  
   65    66    63  
   64    67    68    69    72    73    74    75    70    71    65  
   67    68    69    72    70    71  
   66    75  
    0  
   68    69    72    73    74    75    76    80    70    71  
   69    72    73    74    75    70  
   72    73    74    75    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   320.000  1.410
   38    40   549.000  1.340
   38    65   317.000  1.510
   40    43   440.000  1.360
   40    44   510.000  1.338
   43    48   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    65   268.000  1.529
   51    58   549.000  1.340
   51    75   317.000  1.510
   58    60   317.000  1.510
   58    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   70    71   553.000  0.945
   44    45   553.000  0.945
   39    41   320.000  1.380
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    59   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   320.000  1.462
   50    54   317.000  1.510
   52    53   570.000  1.229
   52    59   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    65    65.00000  117.92700
   33    39    41    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    43    80.00000  120.01400
   38    40    44    80.00000  121.38400
   38    65    48    70.00000  112.02700
   38    65    60    70.00000  112.02700
   38    65    66    35.00000  109.50000
   40    43    48    90.00000  111.18400
   40    44    45    70.00000  107.45700
   43    48    49    35.00000  109.50000
   43    48    51    85.00000  110.90400
   43    48    65    50.00000  109.50000
   48    51    58    70.00000  124.00000
   48    51    75    65.00000  117.92700
   48    65    60    58.35000  112.70000
   48    65    66    37.50000  110.70000
   51    48    49    35.00000  109.50000
   51    58    60    70.00000  124.00000
   51    58    63    70.00000  124.00000
   51    75    72    70.00000  112.02700
   51    75    76    70.00000  112.02700
   51    75    80    70.00000  112.02700
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    65    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    67    70.00000  112.02700
   58    63    70    90.00000  110.39200
   60    65    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    38    40    70.00000  124.00000
   65    48    49    37.50000  110.70000
   65    48    51    70.00000  112.02700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   63    58    60    65.00000  117.92700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    58.35000  112.70000
   63    70    71    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    51    58    70.00000  124.00000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    50.00000  109.50000
   44    40    43   115.00000  116.36000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    41    42    35.00000  109.50000
   39    41    46    85.00000  110.90400
   39    41    59    92.60000  111.55000
   41    46    47    35.00000  117.00000
   41    46    50    70.00000  124.00000
   41    59    52    95.00000  111.08000
   46    41    42    35.00000  109.50000
   46    50    52    65.00000  118.96000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    59    90.00000  111.29400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   59    41    42    35.00000  109.50000
   59    41    46    85.00000  110.90400
   59    52    53    83.00000  123.40000
   54    50    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    65   0.30250  1.0 1.0
   29    33    38    65  -0.14950 -1.0 2.0
   29    33    38    65   0.36900  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    38    40    43   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    65    48   0.46850  1.0 1.0
   33    38    65    48   0.08550 -1.0 2.0
   33    38    65    48   0.09800  1.0 3.0
   33    38    65    60   0.46850  1.0 1.0
   33    38    65    60   0.08550 -1.0 2.0
   33    38    65    60   0.09800  1.0 3.0
   33    38    65    66   0.34800  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    46  -0.77900  1.0 1.0
   33    39    41    46  -0.36900 -1.0 2.0
   33    39    41    46   0.40400  1.0 3.0
   33    39    41    59  -0.53350  1.0 1.0
   33    39    41    59  -0.78350 -1.0 2.0
   33    39    41    59   0.33750  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    65   0.34800  1.0 3.0
   34    33    39    41   0.37050  1.0 3.0
   38    33    39    41  -0.77900  1.0 1.0
   38    33    39    41  -0.36900 -1.0 2.0
   38    33    39    41   0.40400  1.0 3.0
   38    40   -43    48  -2.26850  1.0 1.0
   38    40   -43    48   3.39050 -1.0 2.0
   38    40    44    45  -0.66100  1.0 1.0
   38    40    44    45   1.20850 -1.0 2.0
   38    40    44    45  -0.36000  1.0 3.0
   40    38   -65    48   0.09850  1.0 1.0
   40    38   -65    48   0.15250 -1.0 2.0
   40    38   -65    48  -0.50650  1.0 3.0
   40    38    65    60   0.09850  1.0 1.0
   40    38    65    60   0.15250 -1.0 2.0
   40    38    65    60  -0.50650  1.0 3.0
   40    38    65    66   0.00000  1.0 1.0
   40    43    48    49   0.08050  1.0 3.0
   40    43    48    51  -0.48150  1.0 1.0
   40    43    48    51   0.09250 -1.0 2.0
   40    43    48    51  -0.12850  1.0 3.0
   40    43   -48    65  -0.46850  1.0 1.0
   40    43   -48    65   0.09300 -1.0 2.0
   40    43   -48    65  -0.12850  1.0 3.0
   43    40    44    45   2.00000 -1.0 2.0
   43    48    51    58   0.39000  1.0 1.0
   43    48    51    58  -0.05800 -1.0 2.0
   43    48    51    58  -0.55150  1.0 3.0
   43    48    51    75   0.09700  1.0 1.0
   43    48    51    75   0.15600 -1.0 2.0
   43    48    51    75  -0.50800  1.0 3.0
   43    48   -65    38   0.61850  1.0 1.0
   43    48   -65    38  -0.22750 -1.0 2.0
   43    48   -65    38   0.15300  1.0 3.0
   43    48    65    60   0.62750  1.0 1.0
   43    48    65    60  -0.30950 -1.0 2.0
   43    48    65    60   0.27300  1.0 3.0
   43    48    65    66   0.23400  1.0 3.0
   48    51   -58    60   7.00000 -1.0 2.0
   48    51    58    63   7.00000 -1.0 2.0
   48    51    75    72   0.46850  1.0 1.0
   48    51    75    72   0.08550 -1.0 2.0
   48    51    75    72   0.09800  1.0 3.0
   48    51    75    76   0.46850  1.0 1.0
   48    51    75    76   0.08550 -1.0 2.0
   48    51    75    76   0.09800  1.0 3.0
   48    51    75    80   0.46850  1.0 1.0
   48    51    75    80   0.08550 -1.0 2.0
   48    51    75    80   0.09800  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    51    75   0.34800  1.0 3.0
   49    48    65    38   0.15000  1.0 3.0
   49    48    65    60   0.15000  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   51    48    65    38   0.31000  1.0 1.0
   51    48    65    38   0.14700 -1.0 2.0
   51    48    65    38   0.07550  1.0 3.0
   51    48   -65    60   0.34400  1.0 1.0
   51    48   -65    60   0.09450 -1.0 2.0
   51    48   -65    60   0.11100  1.0 3.0
   51    48    65    66   0.15000  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58   -60    65   0.09850  1.0 1.0
   51    58   -60    65   0.15250 -1.0 2.0
   51    58   -60    65  -0.50650  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    67   0.09850  1.0 1.0
   51    58    63    67   0.15250 -1.0 2.0
   51    58    63    67  -0.50650  1.0 3.0
   51    58    63    70   0.67800  1.0 1.0
   51    58    63    70   0.47050 -1.0 2.0
   51    58    63    70  -0.62500  1.0 3.0
   51    75    76    77   0.15000  1.0 3.0
   51    75    76    78   0.15000  1.0 3.0
   51    75    76    79   0.15000  1.0 3.0
   51    75    80    81   0.15000  1.0 3.0
   51    75    80    82   0.15000  1.0 3.0
   51    75    80    83   0.15000  1.0 3.0
   58    51    75    72   0.09850  1.0 1.0
   58    51    75    72   0.15250 -1.0 2.0
   58    51    75    72  -0.50650  1.0 3.0
   58    51    75    76   0.09850  1.0 1.0
   58    51    75    76   0.15250 -1.0 2.0
   58    51    75    76  -0.50650  1.0 3.0
   58    51    75    80   0.09850  1.0 1.0
   58    51    75    80   0.15250 -1.0 2.0
   58    51    75    80  -0.50650  1.0 3.0
   58    60    65    38   0.31000  1.0 1.0
   58    60    65    38   0.14700 -1.0 2.0
   58    60    65    38   0.07550  1.0 3.0
   58    60   -65    48   0.34400  1.0 1.0
   58    60   -65    48   0.09450 -1.0 2.0
   58    60   -65    48   0.11100  1.0 3.0
   58    60    65    66   0.15000  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63   -67    72   0.34400  1.0 1.0
   58    63   -67    72   0.09450 -1.0 2.0
   58    63   -67    72   0.11100  1.0 3.0
   58    63    70    71  -0.07800  1.0 1.0
   58    63    70    71  -0.21500 -1.0 2.0
   58    63    70    71  -0.03150  1.0 3.0
   60    58    63    64   0.34800  1.0 3.0
   60    58    63    67   0.46850  1.0 1.0
   60    58    63    67   0.08550 -1.0 2.0
   60    58    63    67   0.09800  1.0 3.0
   60    58    63    70   0.18000  1.0 1.0
   60    58    63    70   0.16450 -1.0 2.0
   60    58    63    70   0.04450  1.0 3.0
   61    60    65    38   0.15000  1.0 3.0
   61    60    65    48   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   62    60    65    38   0.15000  1.0 3.0
   62    60    65    48   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   65    38   -40    43   7.00000 -1.0 2.0
   65    38    40    44   7.00000 -1.0 2.0
   65    48   -51    58   0.09850  1.0 1.0
   65    48   -51    58   0.15250 -1.0 2.0
   65    48   -51    58  -0.50650  1.0 3.0
   65    48    51    75   0.46850  1.0 1.0
   65    48    51    75   0.08550 -1.0 2.0
   65    48    51    75   0.09800  1.0 3.0
   63    58    60    61   0.34800  1.0 3.0
   63    58    60    62   0.34800  1.0 3.0
   63    58    60    65   0.46850  1.0 1.0
   63    58    60    65   0.08550 -1.0 2.0
   63    58    60    65   0.09800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.56750  1.0 1.0
   63    67    72    75  -0.07550 -1.0 2.0
   63    67    72    75   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   67    63    70    71  -0.11600  1.0 1.0
   67    63    70    71  -0.09450 -1.0 2.0
   67    63    70    71   0.21250  1.0 3.0
   67    72   -75    51   0.34400  1.0 1.0
   67    72   -75    51   0.09450 -1.0 2.0
   67    72   -75    51   0.11100  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    51   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    51   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    51    58    60   7.00000 -1.0 2.0
   75    51   -58    63   7.00000 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   70    63    67    68   0.23400  1.0 3.0
   70    63    67    69   0.23400  1.0 3.0
   70    63    67    72   0.86500  1.0 1.0
   70    63    67    72  -0.17500 -1.0 2.0
   70    63    67    72   0.20800  1.0 3.0
   44    40    43    48   2.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    65   0.09700  1.0 1.0
   39    33    38    65   0.15600 -1.0 2.0
   39    33    38    65  -0.50800  1.0 3.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    50   0.39000  1.0 1.0
   39    41    46    50  -0.05800 -1.0 2.0
   39    41    46    50  -0.55150  1.0 3.0
   39    41    59    52  -1.83450  1.0 1.0
   39    41    59    52  -0.02700 -1.0 2.0
   39    41    59    52  -0.20100  1.0 3.0
   41    46   -50    52   7.00000 -1.0 2.0
   41    46    50    54   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    50   0.00000  1.0 1.0
   42    41    59    52   0.08050  1.0 3.0
   46    41   -59    52  -0.82050  1.0 1.0
   46    41   -59    52   0.00600 -1.0 2.0
   46    41   -59    52   0.04400  1.0 3.0
   46    50    52    53   1.00000 -1.0 2.0
   46    50   -52    59  -0.56150  1.0 1.0
   46    50   -52    59   2.19150 -1.0 2.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    52   -59    41   2.00000 -1.0 2.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    59    41   3.00000 -1.0 2.0
   59    41    46    47   0.00000  1.0 1.0
   59    41   -46    50   0.39000  1.0 1.0
   59    41   -46    50  -0.05800 -1.0 2.0
   59    41   -46    50  -0.55150  1.0 3.0
   54    50    52    53  -0.64400  1.0 1.0
   54    50    52    53   0.26850 -1.0 2.0
   54    50    52    59  -0.15000  1.0 1.0
   54    50    52    59   0.89550 -1.0 2.0
   54    50    52    59  -0.06900  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
   36    30    35    37  10.50000 -1.0 2.0
   33    65    38    40   1.10000 -1.0 2.0
   43    44    40    38   1.10000 -1.0 2.0
   48    75    51    58   1.10000 -1.0 2.0
   60    63    58    51   1.10000 -1.0 2.0
   41    47    46    50   1.10000 -1.0 2.0
   52    54    50    46   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
