* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    158    260     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02089   101.59317    16.12435
    3     1 S   H    _H1_     3     1.02062    39.28994   121.53238
    4     1 S   H    _H2_     4     1.02129    75.07778   -90.39010
    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     1.08732   110.31229    59.04209
   26    24 S   HC   HB22    34     1.08792   109.70331   178.80204
   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   C3T  _C22    36     1.73919   100.72950   -78.16882
   34    33 S   HC   _H5_    37     1.08472   113.05867    56.16165
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C3T  _C21    38     1.50112   120.47468  -159.99782
   39    38 S   HC   _H20    39     1.08305   117.55609     1.38818
   40    38 S   HC   _H21    40     1.08359   119.40772  -143.57178
   41    33 S   C3T  _C20    41     1.50014   120.44361   -89.07977
   42    41 S   HC   _H4_    42     1.08425   118.63304    -3.88262
   43    41 S   NE   _N6_    43     1.48239   121.03851   139.53223
   44    43 S   CA   _C6_    44     1.41488   126.46620   154.11033
   45    44 S   CA   _C5_    45     1.41448   119.54274  -179.88131
   46    45 S   CA   _C4_    46     1.40270   121.44931   179.97202
   47    46 S   HA   _H6_    47     1.08611   121.32249   179.96574
   48    45 S   CO4  _C18    73     1.48715   119.92219    -0.06853
   49    48 S   O    _O33    74     1.22433   121.60577   180.00000
   50    46 S   CA   _C9_    48     1.39085   119.84669     0.02798
   51    50 S   F    F1__    49     1.34071   119.38571  -179.97202
   52    48 S   CM   _C17    75     1.48132   116.96071     0.02798
   53    50 S   CA   _C8_    50     1.39068   119.83043    -0.08847
   54    43 S   CM   _C16    76     1.38280   114.13860   -25.86689
   55    54 S   HC   _H18    77     1.08622   114.43342    -0.06853
   56    52 S   C    _C19    78     1.46431   123.38046  -180.00000
   57    56 S   O    _O34    79     1.21821   124.57543   150.00472
   58    44 S   CA   _C7_    51     1.40614   123.29475     0.07402
   59    58 S   Cl   Cl1_    52     1.74637   125.02757     0.03956
   60    53 S   NE   _N4_    53     1.38087   117.34934  -179.97202
   61    56 S   OH   _O35    80     1.34955   109.62051   -29.98131
   62    61 S   HO   _H19    81     0.98094   112.02465   179.97202
   63    60 S   CT   _C10    54     1.46418   123.98022    90.04123
   64    63 S   HC   _H7_    55     1.09986   111.80013    46.81603
   65    63 S   HC   _H8_    56     1.10090   109.34972   -72.61350
   66    63 S   CT   _C11    57     1.53540   104.36150   170.06619
   67    66 S   HC   _H3_    58     1.09439   111.68528   149.84869
   68    66 S   C3T  _C12    59     1.50269   103.15673    26.95948
   69    66 S   NP   _N5_    69     1.49338   108.24852   -93.77440
   70    69 S   H    _H15    70     1.02197   110.44904  -111.12304
   71    69 S   H    _H16    71     1.02259   110.38583   128.87402
   72    69 S   H    _H17    72     1.02210   110.42707     8.91773
   73    68 S   C3T  _C14    60     1.50872   121.60340  -173.99554
   74    73 S   HC   _H11    61     1.08359   118.27392   144.44028
   75    73 S   HC   _H12    62     1.08352   118.73455    -1.09020
   76    60 S   CT   _C13    66     1.46551   123.26468   -80.16697
   77    76 S   HC   _H9_    67     1.09980   111.80580    53.03336
   78    76 S   HC   _H10    68     1.09885   109.13296   -67.34699
   79    68 S   C3T  _C15    63     1.51114   119.63274   115.56870
   80    79 S   HC   _H13    64     1.08433   118.62521     4.25653
   81    79 S   HC   _H14    65     1.08361   118.77087  -141.54626
  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   8   5   4   3
   9   6   2   1   1   7   4   3   8   3  11  13  12   9   4   9
   3   7   3   6  11   5   1   3   2   4   1  12   1   1  14   6
   5  15   8  13   6   2   1   1   8   5   4   5   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    54  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43    44    54  
   40    41    42    43  
   41    42    43  
   42    43    44    45    58    52    54    55  
   43    44    54  
   44    45    46    53    58    59    48    52    54    55    56  
   45    46    47    50    53    58    59    60    48    49    52    54    55  
   46    47    50    51    53    58    59    48    49    52    54    56  
   47    50    51    53    58    60    48    49    52  
   50    51    53    48  
   49    52    54    55    56    57    61    50    58  
   52    54    56  
   51    53    58    59    60    63    76  
   53    58    60  
   54    55    56    57    61    62  
   58    59    60    63    64    65    66    68    76    77    78  
   55    56    57    61    58  
   56  
   57    61    62  
   61    62  
   59    60    63    76  
   60  
   63    64    65    66    67    68    73    79    76    77    78    69  
   62  
    0  
   64    65    66    67    68    73    79    76    77    78    69    70    71    72  
   65    66    67    68    76    69  
   66    67    68    76    69  
   67    68    73    74    75    79    80    81    76    77    78    69    70    71    72  
   68    73    79    76    69    70    71    72  
   73    74    75    79    80    81    76    77    78    69    70    71    72  
   70    71    72    73    76    79  
   71    72  
   72  
    0  
   74    75    79    80    81    76    77    78  
   75    79    80    81    76  
   79    80    81    76  
   77    78    79    80    81  
   78    79  
   79  
   80    81  
   81  
    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  -0.175000   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  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.340500   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   58   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.088
   33    38   260.000  1.509
   33    41   260.000  1.509
   38    39   340.000  1.088
   38    40   340.000  1.088
   38    41   260.000  1.509
   41    42   340.000  1.088
   41    43   382.000  1.448
   43    44   481.000  1.340
   43    54   425.000  1.378
   44    45   469.000  1.400
   44    58   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   420.000  1.354
   50    53   469.000  1.400
   53    58   469.000  1.400
   53    60   481.000  1.340
   58    59   300.000  1.725
   60    63   382.000  1.448
   60    76   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   275.000  1.510
   66    69   367.000  1.471
   68    73   260.000  1.509
   68    79   260.000  1.509
   68    76   275.000  1.510
   73    74   340.000  1.088
   73    75   340.000  1.088
   73    79   260.000  1.509
   79    80   340.000  1.088
   79    81   340.000  1.088
   76    77   340.000  1.090
   76    78   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    72   434.000  1.010
   48    49   570.000  1.229
   48    52   320.000  1.462
   52    54   549.000  1.340
   52    56   410.000  1.444
   54    55   340.000  1.080
   56    57   570.000  1.229
   56    61   450.000  1.364
   61    62   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    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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  117.20000
   33    38    40    37.50000  117.20000
   33    38    41    10.00000   60.00500
   33    41    38    10.00000   60.00500
   33    41    42    37.50000  117.20000
   33    41    43    70.00000  118.23000
   38    33    34    37.50000  117.20000
   38    41    42    37.50000  117.20000
   38    41    43    70.00000  118.23000
   40    38    39    35.00000  114.30000
   41    33    34    37.50000  117.20000
   41    33    38    10.00000   60.00500
   41    38    39    37.50000  117.20000
   41    38    40    37.50000  117.20000
   41    43    44    50.00000  120.00000
   41    43    54    50.00000  121.00000
   43    41    42    35.00000  109.50000
   43    44    45    70.00000  120.10000
   43    44    58    70.00000  120.10000
   43    54    52    70.00000  124.03900
   43    54    55    50.00000  112.30800
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    58    53    63.00000  120.00000
   44    58    59    75.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    52    65.00000  117.02400
   46    50    51    80.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    53    60    70.00000  120.10000
   53    50    51    80.00000  120.00000
   53    58    59    75.00000  120.00000
   53    60    63    50.00000  120.00000
   53    60    76    50.00000  120.00000
   58    44    45    63.00000  120.00000
   60    53    58    70.00000  120.10000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    80.00000  111.61500
   60    76    68    80.00000  111.61500
   60    76    77    35.00000  109.50000
   60    76    78    35.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    70.00000  112.37300
   63    66    69    80.00000  111.20000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    73    60.00000  120.94000
   66    68    79    60.00000  120.94000
   66    68    76    58.35000  112.70000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   68    66    67    45.00000  109.38400
   68    73    74    37.50000  117.20000
   68    73    75    37.50000  117.20000
   68    73    79    10.00000   60.00500
   68    79    73    10.00000   60.00500
   68    79    80    37.50000  117.20000
   68    79    81    37.50000  117.20000
   68    76    77    45.00000  109.38400
   68    76    78    45.00000  109.38400
   73    79    80    37.50000  117.20000
   73    79    81    37.50000  117.20000
   75    73    74    35.00000  114.30000
   79    68    73    10.00000   60.00500
   79    73    74    37.50000  117.20000
   79    73    75    37.50000  117.20000
   81    79    80    35.00000  114.30000
   76    60    63    50.00000  115.00000
   76    68    73    60.00000  120.94000
   76    68    79    60.00000  120.94000
   78    76    77    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    80.00000  111.20000
   71    69    70    35.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   48    45    46    60.00000  119.52600
   48    52    54    65.00000  118.96000
   48    52    56    55.00000  123.68000
   52    48    49    80.00000  123.72100
   52    54    55    35.00000  120.00000
   52    56    57    80.00000  125.30000
   52    56    61    90.00000  111.55000
   54    43    44    75.00000  121.78000
   56    52    54    70.00000  118.70000
   56    61    62    35.00000  113.00000
   61    56    57   100.00000  123.32000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33   -38    41   0.44750  1.0 1.0
   29    33   -38    41  -0.17800 -1.0 2.0
   29    33   -38    41   0.20200  1.0 3.0
   29    33   -41    38   0.44750  1.0 1.0
   29    33   -41    38  -0.17800 -1.0 2.0
   29    33   -41    38   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   33    38   -41    42   0.15000  1.0 3.0
   33    38   -41    43   1.26750  1.0 1.0
   33    38   -41    43  -0.00950 -1.0 2.0
   33    38   -41    43   0.30600  1.0 3.0
   33    41    43    44  -0.12500  1.0 1.0
   33    41    43    44  -0.12500 -1.0 2.0
   33    41    43    44   0.25000  1.0 3.0
   33    41    43    54   0.25450  1.0 1.0
   33    41    43    54  -0.61700 -1.0 2.0
   33    41    43    54  -0.23550  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33   -38    41   0.15000  1.0 3.0
   34    33   -41    38   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.22950  1.0 3.0
   38    33   -41    42   0.15000  1.0 3.0
   38    33   -41    43   1.26750  1.0 1.0
   38    33   -41    43  -0.00950 -1.0 2.0
   38    33   -41    43   0.30600  1.0 3.0
   38    41    43    44  -0.12500  1.0 1.0
   38    41    43    44  -0.12500 -1.0 2.0
   38    41    43    44   0.25000  1.0 3.0
   38    41    43    54   0.25450  1.0 1.0
   38    41    43    54  -0.61700 -1.0 2.0
   38    41    43    54  -0.23550  1.0 3.0
   39    38   -41    33   0.15000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.22950  1.0 3.0
   40    38   -41    33   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.22950  1.0 3.0
   41    33   -38    39   0.15000  1.0 3.0
   41    33   -38    40   0.15000  1.0 3.0
   41    43    44    45  -1.00000  1.0 1.0
   41    43    44    45   1.25000 -1.0 2.0
   41    43    44    58  -1.00000  1.0 1.0
   41    43    44    58   1.25000 -1.0 2.0
   41    43    54    52  -0.54700  1.0 1.0
   41    43    54    52   1.23000 -1.0 2.0
   41    43    54    55   0.00000  1.0 1.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    54   0.00000  1.0 1.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    48   3.62500 -1.0 2.0
   43    44    58    53   3.62500 -1.0 2.0
   43    44    58    59   3.62500 -1.0 2.0
   44    43    54    52  -0.54500  1.0 1.0
   44    43    54    52   1.14150 -1.0 2.0
   44    43    54    55   0.00000  1.0 1.0
   44    45    46    47   3.62500 -1.0 2.0
   44    45    46    50   3.62500 -1.0 2.0
   44    45    48    49   1.05000 -1.0 2.0
   44    45   -48    52  -0.11500  1.0 1.0
   44    45   -48    52   1.10450 -1.0 2.0
   44    45   -48    52  -0.48050  1.0 3.0
   45    44    58    53   3.62500 -1.0 2.0
   45    44    58    59   3.62500 -1.0 2.0
   45    46    50    51   3.62500 -1.0 2.0
   45    46   -50    53   3.62500 -1.0 2.0
   45    48    52    54  -1.65800  1.0 1.0
   45    48    52    54   0.77650 -1.0 2.0
   45    48    52    56   1.50000 -1.0 2.0
   46    45    48    49   1.05000 -1.0 2.0
   46    45    48    52  -0.11500  1.0 1.0
   46    45    48    52   1.10450 -1.0 2.0
   46    45    48    52  -0.48050  1.0 3.0
   46    50    53    58   3.62500 -1.0 2.0
   46    50    53    60   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53   -58    44   3.62500 -1.0 2.0
   50    53    58    59   3.62500 -1.0 2.0
   50    53    60    63  -1.00000  1.0 1.0
   50    53    60    63   1.25000 -1.0 2.0
   50    53    60    76  -1.00000  1.0 1.0
   50    53    60    76   1.25000 -1.0 2.0
   51    50    53    58   3.62500 -1.0 2.0
   51    50    53    60   3.62500 -1.0 2.0
   53    60    63    64   0.00000  1.0 1.0
   53    60    63    65   0.00000  1.0 1.0
   53    60    63    66  -0.12500  1.0 1.0
   53    60    63    66  -0.12500 -1.0 2.0
   53    60    63    66   0.25000  1.0 3.0
   53    60    76    68  -0.12500  1.0 1.0
   53    60    76    68  -0.12500 -1.0 2.0
   53    60    76    68   0.25000  1.0 3.0
   53    60    76    77   0.00000  1.0 1.0
   53    60    76    78   0.00000  1.0 1.0
   58    44   -45    46   3.62500 -1.0 2.0
   58    44    45    48   3.62500 -1.0 2.0
   58    53    60    63  -1.00000  1.0 1.0
   58    53    60    63   1.25000 -1.0 2.0
   58    53    60    76  -1.00000  1.0 1.0
   58    53    60    76   1.25000 -1.0 2.0
   60    53    58    44   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    63    66    67   0.22950  1.0 3.0
   60    63   -66    68   1.26750  1.0 1.0
   60    63   -66    68  -0.00950 -1.0 2.0
   60    63   -66    68   0.30600  1.0 3.0
   60    63    66    69   2.45700  1.0 1.0
   60    63    66    69   1.17300 -1.0 2.0
   63    60   -76    68   0.00000  1.0 1.0
   63    60    76    77   0.00000  1.0 1.0
   63    60    76    78   0.00000  1.0 1.0
   63    66    68    73   0.07850  1.0 1.0
   63    66    68    73  -0.03950 -1.0 2.0
   63    66    68    73   0.67350  1.0 3.0
   63    66    68    79   0.07850  1.0 1.0
   63    66    68    79  -0.03950 -1.0 2.0
   63    66    68    79   0.67350  1.0 3.0
   63    66   -68    76   0.56750  1.0 1.0
   63    66   -68    76  -0.07550 -1.0 2.0
   63    66   -68    76   0.20000  1.0 3.0
   63    66    69    70   0.17350  1.0 3.0
   63    66    69    71   0.17350  1.0 3.0
   63    66    69    72   0.17350  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.19200  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.19200  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68   -73    79   0.07850  1.0 1.0
   66    68   -73    79  -0.03950 -1.0 2.0
   66    68   -73    79   0.67350  1.0 3.0
   66    68   -79    73   0.07850  1.0 1.0
   66    68   -79    73  -0.03950 -1.0 2.0
   66    68   -79    73   0.67350  1.0 3.0
   66    68    79    80   0.15000  1.0 3.0
   66    68    79    81   0.15000  1.0 3.0
   66    68   -76    60   1.26750  1.0 1.0
   66    68   -76    60  -0.00950 -1.0 2.0
   66    68   -76    60   0.30600  1.0 3.0
   66    68    76    77   0.15000  1.0 3.0
   66    68    76    78   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    68    79   0.15000  1.0 3.0
   67    66    68    76   0.15000  1.0 3.0
   67    66    69    70   0.13050  1.0 3.0
   67    66    69    71   0.13050  1.0 3.0
   67    66    69    72   0.13050  1.0 3.0
   68    66    69    70   0.17350  1.0 3.0
   68    66    69    71   0.17350  1.0 3.0
   68    66    69    72   0.17350  1.0 3.0
   68    73   -79    80   0.15000  1.0 3.0
   68    73   -79    81   0.15000  1.0 3.0
   73    68   -79    80   0.15000  1.0 3.0
   73    68   -79    81   0.15000  1.0 3.0
   73    68    76    60   1.26750  1.0 1.0
   73    68    76    60  -0.00950 -1.0 2.0
   73    68    76    60   0.30600  1.0 3.0
   73    68    76    77   0.15000  1.0 3.0
   73    68    76    78   0.15000  1.0 3.0
   74    73   -79    68   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   75    73   -79    68   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   79    68   -73    74   0.15000  1.0 3.0
   79    68   -73    75   0.15000  1.0 3.0
   79    68    76    60   1.26750  1.0 1.0
   79    68    76    60  -0.00950 -1.0 2.0
   79    68    76    60   0.30600  1.0 3.0
   79    68    76    77   0.15000  1.0 3.0
   79    68    76    78   0.15000  1.0 3.0
   76    60    63    64   0.00000  1.0 1.0
   76    60    63    65   0.00000  1.0 1.0
   76    60   -63    66   0.00000  1.0 1.0
   76    68    73    74   0.15000  1.0 3.0
   76    68    73    75   0.15000  1.0 3.0
   76    68   -73    79   0.07850  1.0 1.0
   76    68   -73    79  -0.03950 -1.0 2.0
   76    68   -73    79   0.67350  1.0 3.0
   76    68   -79    73   0.07850  1.0 1.0
   76    68   -79    73  -0.03950 -1.0 2.0
   76    68   -79    73   0.67350  1.0 3.0
   76    68    79    80   0.15000  1.0 3.0
   76    68    79    81   0.15000  1.0 3.0
   69    66    68    73   1.36600  1.0 1.0
   69    66    68    73  -0.11450 -1.0 2.0
   69    66    68    73   0.24250  1.0 3.0
   69    66    68    79   1.36600  1.0 1.0
   69    66    68    79  -0.11450 -1.0 2.0
   69    66    68    79   0.24250  1.0 3.0
   69    66    68    76   1.36600  1.0 1.0
   69    66    68    76  -0.11450 -1.0 2.0
   69    66    68    76   0.24250  1.0 3.0
   48    45    46    47   3.62500 -1.0 2.0
   48    45    46    50   3.62500 -1.0 2.0
   48    52   -54    43   7.00000 -1.0 2.0
   48    52    54    55   7.00000 -1.0 2.0
   48    52    56    57   2.50000 -1.0 2.0
   48    52    56    61   1.00000 -1.0 2.0
   49    48    52    54   1.00000 -1.0 2.0
   49    48    52    56   2.50000 -1.0 2.0
   52    56    61    62   1.22000  1.0 1.0
   52    56    61    62   0.17300 -1.0 2.0
   54    43   -44    45   0.70250  1.0 1.0
   54    43   -44    45   1.56150 -1.0 2.0
   54    43    44    58   0.70250  1.0 1.0
   54    43    44    58   1.56150 -1.0 2.0
   54    52    56    57   1.00000 -1.0 2.0
   54    52    56    61  -0.01000  1.0 1.0
   54    52    56    61   1.29850 -1.0 2.0
   54    52    56    61  -0.09550  1.0 3.0
   56    52    54    43   7.00000 -1.0 2.0
   56    52    54    55   7.00000 -1.0 2.0
   57    56    61    62   0.92200  1.0 1.0
   57    56    61    62   3.74100 -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
   36    30    35    37  10.50000 -1.0 2.0
   44    54    43    41   1.00000 -1.0 2.0
   45    58    44    43   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   53    51    50    46   4.00000 -1.0 2.0
   58    60    53    50   4.00000 -1.0 2.0
   53    59    58    44   4.00000 -1.0 2.0
   76    53    60    63   1.00000 -1.0 2.0
   45    52    48    49  10.50000 -1.0 2.0
   48    56    52    54   1.10000 -1.0 2.0
   43    55    54    52   1.10000 -1.0 2.0
   52    61    56    57  10.50000 -1.0 2.0
END
