* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    245     463
    1     0 S   NP   _N1_     1    28.47523    95.83246   -21.46852
    2     1 S   H    _HN1     2     1.02958    81.61156    -5.61500
    3     1 S   H    _H1_     3     1.02840    36.52597   128.63947
    4     1 S   H    _H2_     4     1.02770    92.26147  -113.80887
    5     1 S   CT   _CA1     5     1.50131   146.04102   108.71709
    6     5 S   HC   _HA1     6     1.09571   105.24735    71.93996
    7     5 S   CO3  _C1_     7     1.53837   112.10676   -48.29831
    8     7 S   O2Z  _O11     8     1.26362   114.99360   -47.08838
    9     7 S   O2Z  _O12     9     1.26236   115.00797   131.89464
   10     5 S   CT   _CB1    10     1.53132   107.39749  -170.09527
   11    10 S   HC   HB11    11     1.09823   109.59194   -48.89841
   12    10 S   HC   HB12    12     1.09809   110.39487    67.78297
   13    10 S   CT   _CG1    13     1.52940   112.49348  -169.82382
   14    13 S   HC   HG11    14     1.09552   110.43992   -61.08693
   15    13 S   HC   HG12    15     1.09565   109.85210    57.91515
   16    13 S   C    _CD1    16     1.51880   112.38750   178.67618
   17    16 S   O    _OE1    17     1.22742   123.40926    -0.41778
   18    16 S   N    _N2_    18     1.38460   111.62016   179.00024
   19    18 S   H    _HN2    19     1.01622   118.82148     6.03072
   20    18 S   CT1  _CA2    20     1.46057   123.43921  -176.13416
   21    20 S   HC   _HA2    21     1.09702   109.85811    17.42707
   22    20 S   C    _C2_    22     1.52581   105.36045   -99.96858
   23    22 S   O    _O2_    23     1.22936   122.64909   -90.80802
   24    20 S   CT   _CB2    32     1.53350   110.94744   139.77289
   25    24 S   HC   HB21    33     1.09370   110.15564    57.13671
   26    24 S   HC   HB22    34     1.09504   110.47873   175.85811
   27    22 S   N    _N3_    24     1.38554   112.75396    85.44332
   28    27 S   H    _HN3    25     1.01569   119.55791     3.69766
   29    24 S   S    _SG2    35     1.82488   109.62542   -64.66298
   30    27 S   CT   _CA3    26     1.45398   122.69200  -179.65850
   31    30 S   HC   HA31    27     1.09563   108.64256    36.00094
   32    30 S   HC   HA32    28     1.09482   107.27622   152.86965
   33    29 S   CT   _C11    36     1.82663   100.94332   147.16689
   34    33 S   HC   _H5_    37     1.09459   105.61113    71.83617
   35    30 S   CO3  _C3_    29     1.52972   113.54542   -87.06400
   36    35 S   O2Z  _O31    30     1.26369   115.60763   -40.60256
   37    35 S   O2Z  _O32    31     1.26389   114.82920   140.23919
   38    33 S   CM   _C9_    38     1.49352   109.51851  -170.04150
   39    33 S   OS   _O35    50     1.42989   116.26045   -45.00282
   40    38 S   CT   _C8_    39     1.49536   119.79098    86.37874
   41    40 S   HC   _H4_    40     1.09861   109.08809   152.29163
   42    38 S   CMA  _C10    81     1.51537   120.13233  -101.52069
   43    42 S   OM   _O33    82     1.26224   120.52074   -67.60230
   44    42 S   OM   _O34    83     1.26191   120.45500   112.68116
   45    40 S   CM   _C4_    41     1.49996   114.32178   -87.10460
   46    45 S   HC   _H12    42     1.08112   124.16364   -41.37178
   47    45 S   CM   _C5_    43     1.33774   111.46277   142.68062
   48    47 S   HC   _H13    44     1.08096   124.14019   176.68837
   49    47 S   CT   _C6_    45     1.50437   111.82012    -0.55249
   50    40 S   CT   _C7_    46     1.54523   114.01984    29.90570
   51    50 S   HC   _H3_    47     1.09963   108.51640    90.29028
   52    49 S   CT   _C19    74     1.53458   112.24745   101.71497
   53    52 S   HC   _H20    75     1.09525   112.06754   -56.58466
   54    52 S   HC   _H21    76     1.09550   110.09420  -177.87312
   55    49 S   OH   _O43    79     1.42094   110.00307  -136.71843
   56    55 S   HO   _H23    80     0.97628   107.80269   -61.63438
   57    50 S   CO   _C12    48     1.54719   113.87715   -29.33391
   58    57 S   HC   _H6_    49     1.09377   111.22332   -78.96765
   59    52 S   OH   _O42    77     1.42542   110.13906    64.16922
   60    59 S   HO   _H22    78     0.97205   107.02338   179.49565
   61    57 S   OS1  _O36    51     1.43651   105.91256   163.43099
   62    61 S   CO1  _C13    52     1.43165   114.76317   176.53118
   63    62 S   HC   _H7_    53     1.09706   109.41938    45.11220
   64    62 S   CT   _C14    54     1.53620   105.90274   163.38614
   65    64 S   HC   _H8_    55     1.09701   109.94447    52.62710
   66    64 S   CT   _C15    56     1.52726   111.59094   174.71765
   67    66 S   HC   _H9_    57     1.09660   110.42812    72.65947
   68    64 S   OH5  _O41    72     1.43044   110.04107   -63.99897
   69    68 S   HO   _H19    73     0.97233   108.17010   -55.94260
   70    66 S   CT   _C16    58     1.52845   110.78375   -50.09271
   71    70 S   HC   _H10    59     1.09651   108.81482   -70.72217
   72    66 S   OH5  _O40    70     1.42965   109.67769  -171.24945
   73    72 S   HO   _H18    71     0.97248   108.09812    60.81060
   74    70 S   CT   _C17    60     1.53450   110.47045    50.94909
   75    74 S   HC   _H11    61     1.09709   109.80570    63.43307
   76    70 S   OH5  _O39    68     1.42682   109.55451   172.58542
   77    76 S   HO   _H17    69     0.97256   108.18317   -59.30861
   78    62 S   OS1  _O37    62     1.43133   111.47237   -76.37613
   79    74 S   CT   _C18    63     1.53211   111.94250  -177.61411
   80    79 S   HC   _H14    64     1.09463   110.91555   -62.64873
   81    79 S   HC   _H15    65     1.09182   110.67870   176.84160
   82    79 S   OH5  _O38    66     1.42288   110.64083    57.71037
   83    82 S   HO   _H16    67     0.97225   107.02313  -179.41785
  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   2   1   1  13   9  16   8   4   1   1   9   4  11   4
  12  11   5   7   4   3   3   1   6   2   1   1   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    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    57    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    50    57    58    39    61    42    43    44  
   38    40    57    39    42  
   36    37  
   37  
    0  
   40    41    45    46    47    49    50    51    57    39    42    43    44  
   61    62    42    40    49    50    51    57    58  
   41    45    46    47    48    49    50    51    57    58    61    52    55    42    43    44  
   45    46    47    49    50    51    57    42  
   43    44    45    50  
   44  
    0  
   46    47    48    49    50    51    57    52    55  
   47    48    49    50  
   48    49    50    51    57    52    53    54    59    55    56  
   49    50    52    55  
   50    51    57    58    61    52    53    54    59    60    55    56  
   51    57    58    61    62    52    53    54    59    55    56  
   57    58    61    52    55  
   53    54    59    60    55    56    57  
   54    59    60    55  
   59    60    55  
   56    57    59  
    0  
   58    61    62    63    64    78  
   61    62  
   60  
    0  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    45   317.000  1.510
   40    50   268.000  1.529
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   49    55   320.000  1.410
   50    51   340.000  1.090
   50    57   250.000  1.527
   57    58   340.000  1.090
   57    39   320.000  1.380
   57    61   320.000  1.380
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   320.000  1.410
   59    60   553.000  0.945
   55    56   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
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    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    57    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    45    70.00000  110.12100
   38    40    50    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   40    45    46    35.00000  117.00000
   40    45    47    70.00000  124.00000
   40    50    49    58.35000  112.70000
   40    50    51    37.50000  110.70000
   40    50    57    75.00000  109.43000
   45    40    41    35.00000  109.50000
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   47    49    55    90.00000  110.39200
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    57    75.00000  109.43000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    50.00000  109.50000
   49    55    56    55.00000  108.50000
   50    40    41    37.50000  110.70000
   50    40    45    70.00000  112.02700
   50    57    58    45.00000  112.01100
   50    57    39    90.00000  108.56700
   50    57    61    90.00000  108.56700
   57    50    51    45.00000  108.72000
   57    61    62    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    57    58    35.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    39    92.60000  111.55000
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    49    50    58.35000  112.70000
   52    59    60    55.00000  108.50000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   55    49    50    50.00000  109.50000
   55    49    52    50.00000  109.50000
   42    38    40    70.00000  124.00000
   44    42    43    65.00000  121.00000
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   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    57   0.14700  1.0 1.0
   29    33    39    57  -1.16150 -1.0 2.0
   29    33    39    57   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    45   0.09700  1.0 1.0
   33    38    40    45   0.15600 -1.0 2.0
   33    38    40    45  -0.50800  1.0 3.0
   33    38    40    50   0.46850  1.0 1.0
   33    38    40    50   0.08550 -1.0 2.0
   33    38    40    50   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    57   0.37050  1.0 3.0
   38    33    39    57  -0.77900  1.0 1.0
   38    33    39    57  -0.36900 -1.0 2.0
   38    33    39    57   0.40400  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    47  -0.28300  1.0 1.0
   38    40    45    47   0.26700 -1.0 2.0
   38    40    45    47  -0.63300  1.0 3.0
   38    40    50    49   0.34400  1.0 1.0
   38    40    50    49   0.09450 -1.0 2.0
   38    40    50    49   0.11100  1.0 3.0
   38    40    50    51   0.15000  1.0 3.0
   38    40   -50    57   0.34400  1.0 1.0
   38    40   -50    57   0.09450 -1.0 2.0
   38    40   -50    57   0.11100  1.0 3.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    44   7.00000 -1.0 2.0
   40    45    47    48   7.00000 -1.0 2.0
   40    45   -47    49   7.00000 -1.0 2.0
   40    50    57    58   0.15000  1.0 3.0
   40    50    57    39   0.62750  1.0 1.0
   40    50    57    39  -0.30950 -1.0 2.0
   40    50    57    39   0.27300  1.0 3.0
   40    50    57    61   0.62750  1.0 1.0
   40    50    57    61  -0.30950 -1.0 2.0
   40    50    57    61   0.27300  1.0 3.0
   41    40    45    46   0.33100  1.0 3.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    50    49   0.15000  1.0 3.0
   41    40    50    51   0.15000  1.0 3.0
   41    40    50    57   0.15000  1.0 3.0
   45    40   -50    49   0.34400  1.0 1.0
   45    40   -50    49   0.09450 -1.0 2.0
   45    40   -50    49   0.11100  1.0 3.0
   45    40    50    51   0.15000  1.0 3.0
   45    40    50    57   0.34400  1.0 1.0
   45    40    50    57   0.09450 -1.0 2.0
   45    40    50    57   0.11100  1.0 3.0
   45    47   -49    50   0.09850  1.0 1.0
   45    47   -49    50   0.15250 -1.0 2.0
   45    47   -49    50  -0.50650  1.0 3.0
   45    47    49    52   0.09850  1.0 1.0
   45    47    49    52   0.15250 -1.0 2.0
   45    47    49    52  -0.50650  1.0 3.0
   45    47    49    55   0.67800  1.0 1.0
   45    47    49    55   0.47050 -1.0 2.0
   45    47    49    55  -0.62500  1.0 3.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    49   7.00000 -1.0 2.0
   47    49   -50    40   0.34400  1.0 1.0
   47    49   -50    40   0.09450 -1.0 2.0
   47    49   -50    40   0.11100  1.0 3.0
   47    49    50    51   0.15000  1.0 3.0
   47    49    50    57   0.34400  1.0 1.0
   47    49    50    57   0.09450 -1.0 2.0
   47    49    50    57   0.11100  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    59   1.05650  1.0 1.0
   47    49    52    59   0.15600 -1.0 2.0
   47    49    52    59   0.53150  1.0 3.0
   47    49    55    56  -0.07800  1.0 1.0
   47    49    55    56  -0.21500 -1.0 2.0
   47    49    55    56  -0.03150  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   48    47    49    55   0.00000  1.0 1.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    39   0.62750  1.0 1.0
   49    50    57    39  -0.30950 -1.0 2.0
   49    50    57    39   0.27300  1.0 3.0
   49    50    57    61   0.62750  1.0 1.0
   49    50    57    61  -0.30950 -1.0 2.0
   49    50    57    61   0.27300  1.0 3.0
   49    52    59    60  -0.11600  1.0 1.0
   49    52    59    60  -0.09450 -1.0 2.0
   49    52    59    60   0.21250  1.0 3.0
   50    40    45    46   0.00000  1.0 1.0
   50    40   -45    47   0.09850  1.0 1.0
   50    40   -45    47   0.15250 -1.0 2.0
   50    40   -45    47  -0.50650  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.86500  1.0 1.0
   50    49    52    59  -0.17500 -1.0 2.0
   50    49    52    59   0.20800  1.0 3.0
   50    49    55    56  -0.11600  1.0 1.0
   50    49    55    56  -0.09450 -1.0 2.0
   50    49    55    56   0.21250  1.0 3.0
   50    57   -39    33   0.06250  1.0 1.0
   50    57   -39    33  -0.01100 -1.0 2.0
   50    57   -39    33   0.28050  1.0 3.0
   50    57    61    62   0.06250  1.0 1.0
   50    57    61    62  -0.01100 -1.0 2.0
   50    57    61    62   0.28050  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    39   0.23400  1.0 3.0
   51    50    57    61   0.23400  1.0 3.0
   57    61    62    63   0.37050  1.0 3.0
   57    61    62    64   0.06250  1.0 1.0
   57    61    62    64  -0.01100 -1.0 2.0
   57    61    62    64   0.28050  1.0 3.0
   57    61    62    78  -0.12700  1.0 1.0
   57    61    62    78  -1.16200 -1.0 2.0
   57    61    62    78   0.58800  1.0 3.0
   58    57    39    33   0.37050  1.0 3.0
   58    57    61    62   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    57    61    62  -0.53350  1.0 1.0
   39    57    61    62  -0.78350 -1.0 2.0
   39    57    61    62   0.33750  1.0 3.0
   61    57    39    33  -0.81800  1.0 1.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    49    50    40   0.56750  1.0 1.0
   52    49    50    40  -0.07550 -1.0 2.0
   52    49    50    40   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    57   3.97050  1.0 1.0
   52    49    55    56  -0.11600  1.0 1.0
   52    49    55    56  -0.09450 -1.0 2.0
   52    49    55    56   0.21250  1.0 3.0
   53    52    59    60   0.19450  1.0 3.0
   54    52    59    60   0.19450  1.0 3.0
   55    49    50    40   0.86500  1.0 1.0
   55    49    50    40  -0.17500 -1.0 2.0
   55    49    50    40   0.20800  1.0 3.0
   55    49    50    51   0.23400  1.0 3.0
   55    49    50    57   0.86500  1.0 1.0
   55    49    50    57  -0.17500 -1.0 2.0
   55    49    50    57   0.20800  1.0 3.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    59   3.75450  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.28300  1.0 1.0
   42    38    40    45   0.26700 -1.0 2.0
   42    38    40    45  -0.63300  1.0 3.0
   42    38    40    50   0.09850  1.0 1.0
   42    38    40    50   0.15250 -1.0 2.0
   42    38    40    50  -0.50650  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    40    38    42   1.10000 -1.0 2.0
   40    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
