* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    244     462
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02083   106.30240    -6.48449
    3     1 S   H    _H1_     3     1.02055    51.43823    94.68349
    4     1 S   H    _H2_     4     1.02081    60.82028  -109.12997
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C22    36     1.80813    98.58312  -178.19084
   34    33 S   HC   _H23    37     1.09386   109.19840    40.84014
   35    33 S   HC   _H24    38     1.09413   109.32248   158.91029
   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   CM   _C20    39     1.48701   110.11260   -79.98743
   40    39 S   CM   _C21    40     1.33782   129.55984   120.34330
   41    40 S   OS   _O35    41     1.39193   114.77503  -176.69252
   42    40 S   OH   _O36    83     1.37036   126.06769     1.39662
   43    42 S   HO   _H22    84     0.96716   110.46497   180.00000
   44    41 S   CT   _C14    42     1.44756   103.53203   -15.94757
   45    44 S   HC   _H6_    43     1.10077   106.45838   -92.17354
   46    39 S   CT   _C15    44     1.49881   122.13025   -54.85276
   47    46 S   HC   _H7_    45     1.09845   107.76338    75.59803
   48    44 S   CT   _C11    61     1.53733   109.16354   149.09938
   49    48 S   HC   _H5_    62     1.10079   108.15324   -42.49133
   50    46 S   CT   _C16    46     1.53228   115.27416   -47.75139
   51    50 S   HC   _H16    47     1.09795   109.55352    53.61677
   52    50 S   HC   _H17    48     1.09825   110.29954   -62.70648
   53    50 S   CT   _C17    49     1.53163   113.85319   173.77606
   54    53 S   HC   _H18    50     1.09709   109.35339   -67.92140
   55    53 S   HC   _H19    51     1.09839   107.82932   178.33188
   56    53 S   CM   _C18    52     1.51550   114.99761    54.86927
   57    56 S   CT   _C10    53     1.52416   115.13539   -74.16695
   58    57 S   HC   _H4_    54     1.09968   106.17514   -34.16155
   59    56 S   CM   _C19    80     1.34260   119.56548   109.08358
   60    59 S   HC   _H20    81     1.08043   120.36226   179.94405
   61    59 S   HC   _H21    82     1.07966   120.38407     0.07133
   62    57 S   CT   _C9_    55     1.54320   117.33059  -152.32228
   63    62 S   HC   _H12    56     1.09468   113.03743    28.19296
   64    62 S   HC   _H13    57     1.09870   108.00143   146.22847
   65    62 S   CT   _C8_    58     1.52815   106.92591   -97.36521
   66    65 S   HC   _H3_    59     1.09609   110.46798  -132.81361
   67    65 S   CM   _C12    60     1.50493   104.99858   -13.22133
   68    65 S   OS   _O34    66     1.41951   111.08274   106.81381
   69    67 S   CM   _C13    63     1.34053   122.93465   168.24490
   70    69 S   HC   _H14    64     1.08058   120.43663     2.99944
   71    69 S   HC   _H15    65     1.08120   120.51395  -176.98910
   72    68 S   CO4  _C7_    67     1.36722   115.95730    91.54108
   73    72 S   O    _O33    68     1.21894   126.19996     0.07913
   74    72 S   CM   _C6_    69     1.48241   107.75170  -179.18291
   75    74 S   HC   _H11    70     1.08731   115.33966   -29.65937
   76    74 S   CM   _C5_    71     1.34525   125.39358   149.16105
   77    76 S   CT   _C4_    72     1.50767   119.70065  -179.94766
   78    77 S   HC   _H8_    73     1.09528   110.13467    90.05595
   79    77 S   HC   _H9_    74     1.09444   112.45780   -30.01212
   80    77 S   HC   _H10    75     1.09494   110.30336  -150.20626
   81    76 S   CT   _C23    76     1.50344   126.34040     0.81685
   82    81 S   HC   _H25    77     1.09204   113.54031    89.95361
   83    81 S   HC   _H26    78     1.09503   110.13889   -31.99127
   84    81 S   HC   _H27    79     1.09539   110.12836  -151.28009
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  16   7  12   5  17
   7   8   5   4   9   4   3  10  12   6   3   1   1   8   5   4
   9   4   5   6   2   1   1   6   3  10   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    50    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    50    51    52    53    48    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    57    67    48    49    42    43  
   43    44    46  
    0  
   45    46    47    50    51    52    53    56    57    58    62    65    67    48    49    69  
   46    47    50    57    67    48    49  
   47    50    51    52    53    54    55    56    57    67    48    49  
   50    51    52    53    48  
   49    69    70    71    68    59    50    53    56    57    58    62    63    64    65    66    67  
   69    56    57    58    62    65    67  
   51    52    53    54    55    56    57    59  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    62    59    60    61  
   55    56    57    59  
   56    57    59  
   57    58    62    63    64    65    67    59    60    61  
   58    62    63    64    65    66    67    69    68    59    60    61  
   62    63    64    65    67    59  
   60    61    62  
   61  
    0  
   63    64    65    66    67    69    68    72  
   64    65    66    67    68  
   65    66    67    68  
   66    67    69    70    71    68    72    73    74  
   67    69    68    72  
   69    70    71    68    72  
   72    73    74    75    76    69  
   70    71  
   71  
    0  
   73    74    75    76    77    81  
   74    75    76  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   84   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.510
   56    57   317.000  1.510
   56    59   549.000  1.340
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    48   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    68   320.000  1.410
   67    48   317.000  1.510
   67    69   549.000  1.340
   48    49   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   68    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   59    60   340.000  1.080
   59    61   340.000  1.080
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    50    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    57    58.35000  112.70000
   44    48    67    70.00000  112.02700
   44    48    49    37.50000  110.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    65.00000  117.92700
   53    56    59    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58    35.00000  109.50000
   56    57    62    70.00000  112.02700
   56    57    48    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    58.35000  112.70000
   57    48    67    70.00000  112.02700
   57    48    49    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    70.00000  112.02700
   62    65    68    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    48    65.00000  117.92700
   65    67    69    70.00000  124.00000
   65    68    72    83.00000  116.90000
   67    65    66    35.00000  109.50000
   67    48    49    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    35.00000  120.00000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    62    58.35000  112.70000
   69    67    48    70.00000  124.00000
   71    69    70    35.00000  117.00000
   68    65    66    35.00000  109.50000
   68    65    67    85.00000  110.90400
   68    72    73    83.00000  123.40000
   68    72    74    90.00000  111.29400
   72    74    75    40.00000  117.72500
   72    74    76    65.00000  118.96000
   74    72    73    80.00000  123.72100
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    35.00000  117.00000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    50   0.46850  1.0 1.0
   33    39    46    50   0.08550 -1.0 2.0
   33    39    46    50   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.15000  1.0 3.0
   39    46    50    53   0.34400  1.0 1.0
   39    46    50    53   0.09450 -1.0 2.0
   39    46    50    53   0.11100  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    57   0.62750  1.0 1.0
   41    44    48    57  -0.30950 -1.0 2.0
   41    44    48    57   0.27300  1.0 3.0
   41    44    48    67   0.61850  1.0 1.0
   41    44    48    67  -0.22750 -1.0 2.0
   41    44    48    67   0.15300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    57   0.15000  1.0 3.0
   45    44    48    67   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    57   0.56750  1.0 1.0
   46    44    48    57  -0.07550 -1.0 2.0
   46    44    48    57   0.20000  1.0 3.0
   46    44    48    67   0.34400  1.0 1.0
   46    44    48    67   0.09450 -1.0 2.0
   46    44    48    67   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    56   0.34400  1.0 1.0
   46    50    53    56   0.09450 -1.0 2.0
   46    50    53    56   0.11100  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   50    53    56    57   0.46850  1.0 1.0
   50    53    56    57   0.08550 -1.0 2.0
   50    53    56    57   0.09800  1.0 3.0
   50    53    56    59   0.09850  1.0 1.0
   50    53    56    59   0.15250 -1.0 2.0
   50    53    56    59  -0.50650  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    57    58   0.34800  1.0 3.0
   53    56    57    62   0.46850  1.0 1.0
   53    56    57    62   0.08550 -1.0 2.0
   53    56    57    62   0.09800  1.0 3.0
   53    56    57    48   0.46850  1.0 1.0
   53    56    57    48   0.08550 -1.0 2.0
   53    56    57    48   0.09800  1.0 3.0
   53    56    59    60   7.00000 -1.0 2.0
   53    56    59    61   7.00000 -1.0 2.0
   54    53    56    57   0.34800  1.0 3.0
   54    53    56    59   0.00000  1.0 1.0
   55    53    56    57   0.34800  1.0 3.0
   55    53    56    59   0.00000  1.0 1.0
   56    57    62    63   0.15000  1.0 3.0
   56    57    62    64   0.15000  1.0 3.0
   56    57    62    65   0.34400  1.0 1.0
   56    57    62    65   0.09450 -1.0 2.0
   56    57    62    65   0.11100  1.0 3.0
   56    57    48    44   0.34400  1.0 1.0
   56    57    48    44   0.09450 -1.0 2.0
   56    57    48    44   0.11100  1.0 3.0
   56    57    48    67   0.31000  1.0 1.0
   56    57    48    67   0.14700 -1.0 2.0
   56    57    48    67   0.07550  1.0 3.0
   56    57    48    49   0.15000  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
   57    62    65    66   0.15000  1.0 3.0
   57    62   -65    67   0.34400  1.0 1.0
   57    62   -65    67   0.09450 -1.0 2.0
   57    62   -65    67   0.11100  1.0 3.0
   57    62    65    68   0.62750  1.0 1.0
   57    62    65    68  -0.30950 -1.0 2.0
   57    62    65    68   0.27300  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    48    44   0.15000  1.0 3.0
   58    57    48    67   0.15000  1.0 3.0
   58    57    48    49   0.15000  1.0 3.0
   62    57    48    44   0.56750  1.0 1.0
   62    57    48    44  -0.07550 -1.0 2.0
   62    57    48    44   0.20000  1.0 3.0
   62    57   -48    67   0.34400  1.0 1.0
   62    57   -48    67   0.09450 -1.0 2.0
   62    57   -48    67   0.11100  1.0 3.0
   62    57    48    49   0.15000  1.0 3.0
   62    65   -67    48   0.46850  1.0 1.0
   62    65   -67    48   0.08550 -1.0 2.0
   62    65   -67    48   0.09800  1.0 3.0
   62    65    67    69   0.09850  1.0 1.0
   62    65    67    69   0.15250 -1.0 2.0
   62    65    67    69  -0.50650  1.0 3.0
   62    65    68    72  -0.25900  1.0 1.0
   62    65    68    72  -0.47000 -1.0 2.0
   62    65    68    72   0.11750  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.23400  1.0 3.0
   65    67    48    44   0.46850  1.0 1.0
   65    67    48    44   0.08550 -1.0 2.0
   65    67    48    44   0.09800  1.0 3.0
   65    67   -48    57   0.46850  1.0 1.0
   65    67   -48    57   0.08550 -1.0 2.0
   65    67   -48    57   0.09800  1.0 3.0
   65    67    48    49   0.34800  1.0 3.0
   65    67    69    70   7.00000 -1.0 2.0
   65    67    69    71   7.00000 -1.0 2.0
   65    68    72    73   3.00000 -1.0 2.0
   65    68    72    74   2.00000 -1.0 2.0
   66    65    67    48   0.34800  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    68    72   0.08050  1.0 3.0
   67    65    68    72  -0.82050  1.0 1.0
   67    65    68    72   0.00600 -1.0 2.0
   67    65    68    72   0.04400  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    57    62    63   0.15000  1.0 3.0
   48    57    62    64   0.15000  1.0 3.0
   48    57   -62    65   0.56750  1.0 1.0
   48    57   -62    65  -0.07550 -1.0 2.0
   48    57   -62    65   0.20000  1.0 3.0
   48    67    69    70   7.00000 -1.0 2.0
   48    67    69    71   7.00000 -1.0 2.0
   69    67    48    44   0.09850  1.0 1.0
   69    67    48    44   0.15250 -1.0 2.0
   69    67    48    44  -0.50650  1.0 3.0
   69    67    48    57   0.09850  1.0 1.0
   69    67    48    57   0.15250 -1.0 2.0
   69    67    48    57  -0.50650  1.0 3.0
   69    67    48    49   0.00000  1.0 1.0
   68    65    67    48   0.09700  1.0 1.0
   68    65    67    48   0.15600 -1.0 2.0
   68    65    67    48  -0.50800  1.0 3.0
   68    65    67    69   0.39000  1.0 1.0
   68    65    67    69  -0.05800 -1.0 2.0
   68    65    67    69  -0.55150  1.0 3.0
   68    72    74    75   1.63100 -1.0 2.0
   68    72    74    76  -0.56150  1.0 1.0
   68    72    74    76   2.19150 -1.0 2.0
   72    74    76    77   7.00000 -1.0 2.0
   72    74    76    81   7.00000 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   1.00000 -1.0 2.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   59    56    57    58   0.00000  1.0 1.0
   59    56    57    62   0.09850  1.0 1.0
   59    56    57    62   0.15250 -1.0 2.0
   59    56    57    62  -0.50650  1.0 3.0
   59    56    57    48   0.09850  1.0 1.0
   59    56    57    48   0.15250 -1.0 2.0
   59    56    57    48  -0.50650  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   53    57    56    59   1.10000 -1.0 2.0
   65    48    67    69   1.10000 -1.0 2.0
   70    71    69    67   1.10000 -1.0 2.0
   68    74    72    73  10.50000 -1.0 2.0
   72    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
   60    61    59    56   1.10000 -1.0 2.0
END
