* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    142    228     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101    39.85243   119.62534
    3     1 S   H    _H1_     3     1.02159    74.25306   -91.52507
    4     1 S   H    _H2_     4     1.02034   102.01997    14.75756
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C6_    36     1.82219    98.12740   -78.13280
   34    33 S   HC   _H7_    37     1.09572   107.64427    59.95581
   35    33 S   HC   _H8_    38     1.09519   106.25881   -55.36725
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C5_    39     1.54506   114.86794  -176.86075
   40    39 S   CT   _C7_    40     1.51933   109.59610   -61.78568
   41    40 S   HC   _H3_    41     1.09930   109.22996    64.84659
   42    39 S   CT   _C4_    72     1.53581   113.04362    61.13615
   43    42 S   HC   _H4_    73     1.09453   112.40579    57.20867
   44    42 S   HC   _H5_    74     1.09451   111.31317   -65.07540
   45    42 S   HC   _H6_    75     1.09688   110.27684   174.75615
   46    39 S   OH   _O36    76     1.43338   108.85074  -178.54223
   47    46 S   HO   _H20    77     0.96745   106.04548   -61.58662
   48    40 S   CT   _C8_    42     1.52248   112.83305  -171.42224
   49    48 S   HC   _H9_    43     1.09725   110.47232    36.53293
   50    48 S   HC   _H10    44     1.09204   109.70729   -84.64881
   51    40 S   OS   _O34    69     1.43226   109.62883   -53.59333
   52    48 S   CA   _C9_    45     1.49771   102.21808   153.19515
   53    52 S   CA   _C10    46     1.36595   135.05496   156.46484
   54    53 S   CA   _C18    47     1.50014   114.77390  -176.22016
   55    53 S   NE   _N4_    60     1.28849   123.35716     4.00071
   56    54 S   CO4  _C17    48     1.48574   118.87210  -178.52276
   57    56 S   O    _O33    49     1.22350   124.15838   168.47094
   58    55 S   CT   _C22    61     1.49758   124.53734    12.27168
   59    58 S   HC   _H17    62     1.09159   108.14623   -91.01843
   60    58 S   HC   _H18    63     1.09121   108.21231   148.93459
   61    58 S   HC   _H19    64     1.09162   108.17254    28.93517
   62    54 S   CA   _C19    65     1.35692   122.26503    -0.98298
   63    56 S   CA   _C16    50     1.46514   114.97470   -11.95236
   64    62 S   CA   _C20    66     1.44429   120.47514     1.23654
   65    64 S   HA   _H15    67     1.08331   119.94111   177.71005
   66    62 S   OH   _O35    70     1.37483   126.77909  -179.79252
   67    66 S   HO   _H16    71     0.96454   110.07615     0.95018
   68    63 S   CA   _C15    51     1.40494   118.19346  -168.98499
   69    68 S   HA   _H14    52     1.08675   121.34542    -1.18316
   70    52 S   CA   _C21    68     1.45680   102.99352   -20.14899
   71    68 S   CA   _C14    53     1.39025   120.21822   178.08756
   72    71 S   HA   _H13    54     1.08553   120.22772  -179.67918
   73    71 S   CA   _C13    55     1.38796   119.53792    -0.58917
   74    73 S   HA   _H12    56     1.08579   120.01867  -178.62186
   75    73 S   CA   _C12    57     1.39971   120.13492     0.85615
   76    75 S   HA   _H11    58     1.08680   116.02530  -177.74606
   77    63 S   CA   _C11    59     1.39946   120.46338    10.31486
  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
  13   5   4   2   1   1  14  15   8   7   3   2   1   3   1   9
   5   4   6  10  15  13  13  10   4   6   3   2   1   6   8   4
   2   2   1   7   4   1   6   3   4   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    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    42    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    48    51    42    43    44    45    46    47  
   35    39    40    42    46  
   39    40    42    46  
   37    38  
   38  
    0  
   40    41    48    49    50    52    70    51    42    43    44    45    46    47  
   41    48    49    50    52    53    64    70    51    42    43    44    45    46    47  
   48    49    50    52    70    51    42    46  
   43    44    45    46    47    48    51  
   44    45    46  
   45    46  
   46  
   47    48    51  
    0  
   49    50    52    53    54    55    64    70    51  
   50    52    53    70    51  
   52    53    70    51  
   52    53    62    64    65    70  
   53    54    56    77    55    58    62    64    65    70  
   54    56    57    63    75    77    55    58    59    60    61    62    64    70    66  
   56    57    63    68    77    55    58    62    64    65    70    66    67  
   58    59    60    61    62    70    56    63    68    73    75    76    77  
   57    63    68    69    71    75    77    62    64    66  
   63    68    77    62  
   59    60    61    63    75    77  
   60    61    77  
   61    77  
   77  
   64    65    70    66    67    63  
   68    69    71    72    73    75    76    77  
   65    70    66    67  
   70    66  
   67    70  
    0  
   69    71    72    73    74    75    77  
   71    72    73    77  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   39    40   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   469.000  1.400
   52    70   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   310.000  1.470
   54    62   469.000  1.400
   56    57   570.000  1.229
   56    63   310.000  1.470
   63    68   469.000  1.400
   63    77   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    55   481.000  1.340
   55    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    51   450.000  1.364
   66    67   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   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  111.63000
   33    39    40    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    48    58.35000  112.70000
   39    40    51    50.00000  109.50000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    52    70.00000  112.17500
   40    51    70    75.00000  111.00000
   48    40    41    37.50000  110.70000
   48    52    53    70.00000  120.00000
   48    52    70    70.00000  120.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.10000
   52    70    64    63.00000  120.00000
   52    70    51    70.00000  120.00000
   53    54    56    60.00000  119.52600
   53    54    62    63.00000  120.00000
   53    55    77    50.00000  129.00000
   53    55    58    50.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    63    65.00000  116.00000
   54    62    64    63.00000  120.00000
   54    62    66    70.00000  120.00000
   56    63    68    60.00000  119.52600
   56    63    77    60.00000  119.52600
   63    56    57    75.00000  123.78400
   63    68    69    35.00000  120.00000
   63    68    71    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    55    70.00000  120.10000
   68    71    72    35.00000  120.00000
   68    71    73    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    55    70.00000  120.10000
   77    63    68    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    55    58    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    56    60.00000  119.52600
   62    64    65    35.00000  120.00000
   62    64    70    63.00000  120.00000
   62    66    67    35.00000  113.00000
   64    70    51    70.00000  120.00000
   70    52    53    63.00000  120.00000
   70    64    65    35.00000  120.00000
   51    40    41    35.00000  109.50000
   51    40    48    50.00000  109.50000
   66    62    64    70.00000  120.00000
   42    39    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
   46    39    40    50.00000  109.50000
   46    39    42    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    48   0.56750  1.0 1.0
   33    39    40    48  -0.07550 -1.0 2.0
   33    39    40    48   0.20000  1.0 3.0
   33    39    40    51   0.62750  1.0 1.0
   33    39    40    51  -0.30950 -1.0 2.0
   33    39    40    51   0.27300  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    40    48    49   0.15000  1.0 3.0
   39    40    48    50   0.15000  1.0 3.0
   39    40    48    52  -0.03700  1.0 1.0
   39    40    48    52   0.37200 -1.0 2.0
   39    40    48    52  -0.47300  1.0 3.0
   39    40    51    70  -0.32850  1.0 1.0
   39    40    51    70  -0.35800 -1.0 2.0
   39    40    51    70   0.33950  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   40    48    52    53   0.04150 -1.0 2.0
   40    48   -52    70   0.04150 -1.0 2.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    52   0.43200  1.0 3.0
   41    40    51    70   0.08050  1.0 3.0
   48    40   -51    70  -0.32850  1.0 1.0
   48    40   -51    70  -0.35800 -1.0 2.0
   48    40   -51    70   0.33950  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    55   3.62500 -1.0 2.0
   48    52    70    64   3.62500 -1.0 2.0
   48    52   -70    51   3.62500 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    70   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    70   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    62   3.62500 -1.0 2.0
   52    53    55    77   0.17750 -1.0 2.0
   52    53    55    58  -1.00000  1.0 1.0
   52    53    55    58   1.25000 -1.0 2.0
   52    70   -51    40   1.63200 -1.0 2.0
   53    52    70    64   3.62500 -1.0 2.0
   53    52    70    51   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    63   0.56600 -1.0 2.0
   53    54   -62    64   3.62500 -1.0 2.0
   53    54    62    66   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    77   0.17750 -1.0 2.0
   54    53    55    58  -1.00000  1.0 1.0
   54    53    55    58   1.25000 -1.0 2.0
   54    56    63    68   0.56600 -1.0 2.0
   54    56   -63    77   0.56600 -1.0 2.0
   54    62    64    65   3.62500 -1.0 2.0
   54    62    64    70   3.62500 -1.0 2.0
   54    62    66    67   0.84100 -1.0 2.0
   56    54    62    64   3.62500 -1.0 2.0
   56    54    62    66   3.62500 -1.0 2.0
   56    63    68    69   3.62500 -1.0 2.0
   56    63    68    71   3.62500 -1.0 2.0
   56    63    77    75   3.62500 -1.0 2.0
   56    63    77    55   3.62500 -1.0 2.0
   57    56    63    68   1.05000 -1.0 2.0
   57    56    63    77   1.05000 -1.0 2.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    73   3.62500 -1.0 2.0
   63    77   -55    53   0.17750 -1.0 2.0
   63    77    55    58  -1.00000  1.0 1.0
   63    77    55    58   1.25000 -1.0 2.0
   68    63    77    75   3.62500 -1.0 2.0
   68    63    77    55   3.62500 -1.0 2.0
   68    71    73    74   3.62500 -1.0 2.0
   68    71   -73    75   3.62500 -1.0 2.0
   69    68    71    72   3.62500 -1.0 2.0
   69    68    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    55   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    55    53   0.17750 -1.0 2.0
   75    77    55    58  -1.00000  1.0 1.0
   75    77    55    58   1.25000 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    55   3.62500 -1.0 2.0
   77    63    68    69   3.62500 -1.0 2.0
   77    63   -68    71   3.62500 -1.0 2.0
   77    55    58    59   0.00000  1.0 1.0
   77    55    58    60   0.00000  1.0 1.0
   77    55    58    61   0.00000  1.0 1.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    62   3.62500 -1.0 2.0
   62    54    56    57   1.05000 -1.0 2.0
   62    54    56    63   0.56600 -1.0 2.0
   62    64   -70    52   3.62500 -1.0 2.0
   62    64    70    51   3.62500 -1.0 2.0
   64    62    66    67   0.84100 -1.0 2.0
   64    70    51    40   1.63200 -1.0 2.0
   65    64    70    52   3.62500 -1.0 2.0
   65    64    70    51   3.62500 -1.0 2.0
   70    52   -53    54   3.62500 -1.0 2.0
   70    52    53    55   3.62500 -1.0 2.0
   51    40    48    49   0.23400  1.0 3.0
   51    40    48    50   0.23400  1.0 3.0
   51    40   -48    52  -0.64350  1.0 1.0
   51    40   -48    52  -0.04200 -1.0 2.0
   51    40   -48    52   0.19800  1.0 3.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    70   3.62500 -1.0 2.0
   42    39    40    41   0.15000  1.0 3.0
   42    39    40    48   0.56750  1.0 1.0
   42    39    40    48  -0.07550 -1.0 2.0
   42    39    40    48   0.20000  1.0 3.0
   42    39    40    51   0.62750  1.0 1.0
   42    39    40    51  -0.30950 -1.0 2.0
   42    39    40    51   0.27300  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    48   0.86500  1.0 1.0
   46    39    40    48  -0.17500 -1.0 2.0
   46    39    40    48   0.20800  1.0 3.0
   46    39    40    51   3.69350  1.0 1.0
   46    39    40    51  -1.82950 -1.0 2.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  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
   37    30    36    38  10.50000 -1.0 2.0
   53    70    52    48   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    62    54    53   4.00000 -1.0 2.0
   54    63    56    57  10.50000 -1.0 2.0
   68    77    63    56   4.00000 -1.0 2.0
   71    69    68    63   1.10000 -1.0 2.0
   73    72    71    68   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    55    77    63   4.00000 -1.0 2.0
   58    53    55    77   1.00000 -1.0 2.0
   64    66    62    54   4.00000 -1.0 2.0
   70    65    64    62   1.10000 -1.0 2.0
   64    51    70    52   4.00000 -1.0 2.0
END
