* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    155    229     450
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079   100.29931   -48.49204
    3     1 S   H    _H1_     3     1.02108    77.46830    58.56285
    4     1 S   H    _H2_     4     1.02110    37.66812  -155.81060
    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   _C21    36     1.80776    98.61927  -178.16656
   34    33 S   HC   _H19    37     1.09272   109.27617    40.68858
   35    33 S   HC   _H20    38     1.09204   109.43380   159.01952
   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   _C19    39     1.48839   109.98115   -79.99421
   40    39 S   CM   _C20    40     1.33333   127.57759   120.37083
   41    40 S   OS   _O36    41     1.38320   115.96529  -177.58613
   42    40 S   OH   _O37    85     1.36886   123.97238     1.36731
   43    42 S   HO   _H18    86     0.96592   110.39593  -179.98022
   44    41 S   CT   _C17    42     1.44690   104.95345     0.34435
   45    44 S   HC   _H5_    43     1.09256   105.35500  -119.34631
   46    39 S   CT   _C18    44     1.49946   122.88661   -57.30821
   47    46 S   HC   _H6_    45     1.09734   107.49706    61.18554
   48    44 S   CT   _C16    59     1.55233   109.33189   121.10110
   49    48 S   HC   _H4_    60     1.09670   109.12243  -155.51230
   50    46 S   CT   _C9_    46     1.55591   112.67566   -58.36058
   51    50 S   HC   _H3_    47     1.11025   108.64945   -35.70041
   52    48 S   OH   _O38    61     1.43113   109.80721   -42.15329
   53    52 S   HO   _H21    62     0.96876   106.20471  -172.06031
   54    50 S   CT   _C10    48     1.55204   120.24188  -158.33660
   55    54 S   HC   _H14    49     1.09763   110.34180  -152.38139
   56    54 S   HC   _H15    50     1.09967   106.63146    94.04593
   57    50 S   OS   _O34    71     1.43605   108.15890    78.21497
   58    54 S   CM   _C11    51     1.51672   117.13290   -28.20129
   59    57 S   CO4  _C8_    72     1.35765   115.43741  -146.02425
   60    59 S   O    _O33    73     1.22325   126.18296    -0.03956
   61    58 S   CM   _C12    52     1.34629   117.59221   106.88230
   62    61 S   HC   _H16    53     1.08841   119.91020     3.06867
   63    58 S   CT   _C23    67     1.50138   116.57833   -69.39365
   64    63 S   HC   _H25    68     1.08711   109.42635   -94.05368
   65    63 S   HC   _H26    69     1.08717   109.43548   145.74319
   66    63 S   HC   _H27    70     1.08780   109.43234    26.08241
   67    59 S   CM   _C6_    74     1.49489   109.19729  -179.73166
   68    61 S   CO4  _C13    54     1.48266   123.91992  -161.08680
   69    68 S   O    _O35    55     1.22088   124.12570   -62.55725
   70    67 S   CM   _C5_    75     1.34569   115.87893  -150.25057
   71    70 S   HC   _H10    76     1.08863   119.46485    -0.49889
   72    67 S   CT   _C7_    81     1.50058   118.27534    28.23490
   73    72 S   HC   _H11    82     1.09175   113.01576   -88.33855
   74    72 S   HC   _H12    83     1.09507   110.48332    30.59830
   75    72 S   HC   _H13    84     1.09549   110.32472   150.56465
   76    68 S   CM   _C14    56     1.49307   113.13525   121.83572
   77    76 S   HC   _H17    57     1.08666   114.90410   125.20509
   78    70 S   CT   _C4_    77     1.49652   127.21039  -179.20328
   79    78 S   HC   _H7_    78     1.09484   109.38491   -91.24128
   80    78 S   HC   _H8_    79     1.09185   113.64558   148.97446
   81    78 S   HC   _H9_    80     1.09395   109.82716    27.26402
   82    76 S   CM   _C15    58     1.35105   124.00152   -53.79291
   83    82 S   CT   _C22    63     1.50605   119.65949   175.02417
   84    83 S   HC   _H22    64     1.08590   109.19546    90.02401
   85    83 S   HC   _H23    65     1.08595   109.22567   -30.19111
   86    83 S   HC   _H24    66     1.08629   109.14963  -149.80407
  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  14   7  13   5  12
   5  11   6   4   1  12   5   4   6   9   9   3  10   4   4   2
   1   1  10   5   3   9   5   4   2   1   1   6   2   3   2   1
   1   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    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    54    48    57    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    82    48    49    52    42    43  
   43    44    46  
    0  
   45    46    47    50    51    54    76    82    48    49    52    53    83    57  
   46    47    50    82    48    49    52  
   47    50    51    54    55    56    58    82    48    49    52    57    59  
   50    51    54    48    57  
   49    52    53    83    84    85    86    50    68    76    77    82  
   52    53    83    76    82  
   51    54    55    56    58    61    63    57    59    60    67  
   54    55    56    58    57    59  
   53    83    76    82  
   82  
   55    56    58    61    62    68    63    64    65    66    57    59  
   56    58    61    63    57  
   58    61    63    57  
   59    60    67    70    72    58  
   61    62    68    69    76    63    64    65    66  
   60    67    70    71    78    72    73    74    75  
   67    70    72  
   62    68    69    76    77    82    63    64    65    66  
   68    69    76    63  
   64    65    66    68  
   65    66  
   66  
    0  
   70    71    78    79    80    81    72    73    74    75  
   69    76    77    82    83  
   76    77    82  
   71    78    79    80    81    72    73    74    75  
   78    79    80    81    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    82    83    84    85    86  
   82    83  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    54   268.000  1.529
   50    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   317.000  1.510
   58    61   549.000  1.340
   58    63   317.000  1.510
   61    62   340.000  1.080
   61    68   320.000  1.462
   68    69   570.000  1.229
   68    76   320.000  1.462
   76    77   340.000  1.080
   76    82   549.000  1.340
   82    48   317.000  1.510
   82    83   317.000  1.510
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    67   320.000  1.462
   67    70   549.000  1.340
   67    72   317.000  1.510
   70    71   340.000  1.080
   70    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   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    82    70.00000  112.02700
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    50    57    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    58    70.00000  112.02700
   50    57    59    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    58    61    70.00000  124.00000
   54    58    63    65.00000  117.92700
   56    54    55    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    35.00000  109.50000
   58    61    62    35.00000  120.00000
   58    61    68    65.00000  118.96000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   61    68    69    80.00000  123.72100
   61    68    76    65.00000  118.65900
   68    61    62    40.00000  117.72500
   68    76    77    40.00000  117.72500
   68    76    82    65.00000  118.96000
   76    68    69    80.00000  123.72100
   76    82    48    70.00000  124.00000
   76    82    83    70.00000  124.00000
   82    76    77    35.00000  120.00000
   82    48    49    35.00000  109.50000
   82    48    52    90.00000  110.39200
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    52    53    55.00000  108.50000
   52    48    49    35.00000  109.50000
   83    82    48    65.00000  117.92700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   63    58    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    54    50.00000  109.50000
   57    59    60    83.00000  123.40000
   57    59    67    90.00000  111.29400
   59    67    70    65.00000  118.96000
   59    67    72    65.00000  116.34900
   67    59    60    80.00000  123.72100
   67    70    71    35.00000  120.00000
   67    70    78    70.00000  124.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   78    70    71    35.00000  117.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    67    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   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    54   0.34400  1.0 1.0
   39    46    50    54   0.09450 -1.0 2.0
   39    46    50    54   0.11100  1.0 3.0
   39    46    50    57   0.61850  1.0 1.0
   39    46    50    57  -0.22750 -1.0 2.0
   39    46    50    57   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    82   0.61850  1.0 1.0
   41    44    48    82  -0.22750 -1.0 2.0
   41    44    48    82   0.15300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   41    44    48    52   3.69350  1.0 1.0
   41    44    48    52  -1.82950 -1.0 2.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    46    50    57   0.62750  1.0 1.0
   44    46    50    57  -0.30950 -1.0 2.0
   44    46    50    57   0.27300  1.0 3.0
   44    48    52    53  -0.11600  1.0 1.0
   44    48    52    53  -0.09450 -1.0 2.0
   44    48    52    53   0.21250  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    82   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  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    82   0.34400  1.0 1.0
   46    44    48    82   0.09450 -1.0 2.0
   46    44    48    82   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.86500  1.0 1.0
   46    44    48    52  -0.17500 -1.0 2.0
   46    44    48    52   0.20800  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    58   0.34400  1.0 1.0
   46    50    54    58   0.09450 -1.0 2.0
   46    50    54    58   0.11100  1.0 3.0
   46    50    57    59  -0.25900  1.0 1.0
   46    50    57    59  -0.47000 -1.0 2.0
   46    50    57    59   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    50    57   0.23400  1.0 3.0
   50    54    58    61   0.09850  1.0 1.0
   50    54    58    61   0.15250 -1.0 2.0
   50    54    58    61  -0.50650  1.0 3.0
   50    54    58    63   0.46850  1.0 1.0
   50    54    58    63   0.08550 -1.0 2.0
   50    54    58    63   0.09800  1.0 3.0
   50    57    59    60   3.00000 -1.0 2.0
   50    57    59    67   2.00000 -1.0 2.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    57    59   0.08050  1.0 3.0
   54    50    57    59  -0.25900  1.0 1.0
   54    50    57    59  -0.47000 -1.0 2.0
   54    50    57    59   0.11750  1.0 3.0
   54    58    61    62   7.00000 -1.0 2.0
   54    58    61    68   7.00000 -1.0 2.0
   54    58    63    64   0.34800  1.0 3.0
   54    58    63    65   0.34800  1.0 3.0
   54    58    63    66   0.34800  1.0 3.0
   55    54    58    61   0.00000  1.0 1.0
   55    54    58    63   0.34800  1.0 3.0
   56    54    58    61   0.00000  1.0 1.0
   56    54    58    63   0.34800  1.0 3.0
   58    61    68    69   1.00000 -1.0 2.0
   58    61    68    76  -1.18350  1.0 1.0
   58    61    68    76   1.45950 -1.0 2.0
   61    58    63    64   0.00000  1.0 1.0
   61    58    63    65   0.00000  1.0 1.0
   61    58    63    66   0.00000  1.0 1.0
   61    68    76    77   0.93700 -1.0 2.0
   61    68    76    82  -1.18350  1.0 1.0
   61    68    76    82   1.45950 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    76   0.93700 -1.0 2.0
   68    76    82    48   7.00000 -1.0 2.0
   68    76    82    83   7.00000 -1.0 2.0
   69    68    76    77   0.00000  1.0 1.0
   69    68    76    82   1.00000 -1.0 2.0
   76    82    48    44   0.09850  1.0 1.0
   76    82    48    44   0.15250 -1.0 2.0
   76    82    48    44  -0.50650  1.0 3.0
   76    82    48    49   0.00000  1.0 1.0
   76    82    48    52   0.67800  1.0 1.0
   76    82    48    52   0.47050 -1.0 2.0
   76    82    48    52  -0.62500  1.0 3.0
   76    82    83    84   0.00000  1.0 1.0
   76    82    83    85   0.00000  1.0 1.0
   76    82    83    86   0.00000  1.0 1.0
   77    76    82    48   7.00000 -1.0 2.0
   77    76    82    83   7.00000 -1.0 2.0
   82    48    52    53  -0.07800  1.0 1.0
   82    48    52    53  -0.21500 -1.0 2.0
   82    48    52    53  -0.03150  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    82    83    84   0.34800  1.0 3.0
   48    82    83    85   0.34800  1.0 3.0
   48    82    83    86   0.34800  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   83    82    48    44   0.46850  1.0 1.0
   83    82    48    44   0.08550 -1.0 2.0
   83    82    48    44   0.09800  1.0 3.0
   83    82    48    49   0.34800  1.0 3.0
   83    82    48    52   0.18000  1.0 1.0
   83    82    48    52   0.16450 -1.0 2.0
   83    82    48    52   0.04450  1.0 3.0
   63    58    61    62   7.00000 -1.0 2.0
   63    58    61    68   7.00000 -1.0 2.0
   57    50    54    55   0.23400  1.0 3.0
   57    50    54    56   0.23400  1.0 3.0
   57    50    54    58   0.61850  1.0 1.0
   57    50    54    58  -0.22750 -1.0 2.0
   57    50    54    58   0.15300  1.0 3.0
   57    59    67    70  -0.56150  1.0 1.0
   57    59    67    70   2.19150 -1.0 2.0
   57    59    67    72  -0.15000  1.0 1.0
   57    59    67    72   0.89550 -1.0 2.0
   57    59    67    72  -0.06900  1.0 3.0
   59    67    70    71   7.00000 -1.0 2.0
   59    67    70    78   7.00000 -1.0 2.0
   59    67    72    73   0.15000  1.0 3.0
   59    67    72    74   0.15000  1.0 3.0
   59    67    72    75   0.15000  1.0 3.0
   60    59    67    70   1.00000 -1.0 2.0
   60    59    67    72  -0.64400  1.0 1.0
   60    59    67    72   0.26850 -1.0 2.0
   67    70    78    79   0.00000  1.0 1.0
   67    70    78    80   0.00000  1.0 1.0
   67    70    78    81   0.00000  1.0 1.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    75   0.00000  1.0 1.0
   71    70    78    79   0.33100  1.0 3.0
   71    70    78    80   0.33100  1.0 3.0
   71    70    78    81   0.33100  1.0 3.0
   72    67    70    71   7.00000 -1.0 2.0
   72    67    70    78   7.00000 -1.0 2.0
   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
   54    63    58    61   1.10000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   61    76    68    69  10.50000 -1.0 2.0
   68    77    76    82   1.10000 -1.0 2.0
   48    83    82    76   1.10000 -1.0 2.0
   57    67    59    60  10.50000 -1.0 2.0
   59    72    67    70  15.00000 -1.0 2.0
   78    71    70    67  15.00000 -1.0 2.0
END
