* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    158    255     456
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02145    68.84734   -98.46954
    3     1 S   H    _H1_     3     1.02071   104.38080     6.33066
    4     1 S   H    _H2_     4     1.02098    44.20873   108.58761
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C11    36     1.84545    97.33447  -178.14238
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C9_    37     1.52269   108.10701   -60.00079
   38    33 S   S    _S1_    62     1.82461   108.46952    63.60726
   39    37 S   N4   _N4_    38     1.36282   107.73410   -94.47430
   40    37 S   CMA  _C10    59     1.33969   129.12812    89.91127
   41    40 S   OM   _O34    60     1.38881   118.84482   179.95577
   42    40 S   OM   _O35    61     1.38928   118.80159    -0.03426
   43    38 S   CRA  _C12    63     1.76463    99.49713    59.76781
   44    39 S   C4   _C8_    39     1.35025   133.47652  -134.30965
   45    44 S   O    _O33    40     1.20883   133.81037   -36.90236
   46    39 S   C4T  _C6_    43     1.46072   114.54585    -3.13213
   47    46 S   HC   _H4_    44     1.09936   110.82428   101.07147
   48    43 S   N5B  _N5_    64     1.31427   121.17507    59.99338
   49    44 S   C4T  _C7_    41     1.55268    89.84857   137.16279
   50    49 S   HC   _H5_    42     1.09982   110.89000  -112.81349
   51    33 S   CT   _C5_    45     1.57565   110.17737  -170.70811
   52    51 S   HC   _H3_    46     1.08462   111.48860   -33.52094
   53    48 S   C5B  _C13    65     1.38189   108.85821  -179.97202
   54    51 S   CT   _C4_    47     1.53204   116.28292  -155.96947
   55    54 S   HC   _H7_    48     1.08853   109.76218   -55.01100
   56    54 S   HC   _H8_    49     1.08811   109.78029  -174.96678
   57    54 S   HC   _H9_    50     1.08786   109.78651    65.00070
   58    49 S   CT   _C22    51     1.50724   114.70649   123.83547
   59    58 S   HC   _H6_    52     1.09982   110.16968    59.96250
   60    53 S   C5A  _C14    66     1.37905   115.86452     0.06561
   61    60 S   HA   _H10    67     1.08198   129.12023   179.98022
   62    53 S   CA   _C15    69     1.43434   121.57523   179.96044
   63    58 S   CT   _C23    53     1.52617   112.35312  -178.43277
   64    63 S   HC   _H19    54     1.09383   111.05098    57.70818
   65    63 S   HC   _H20    55     1.09542   110.83795   -63.23216
   66    63 S   HC   _H21    56     1.09578   110.85225   178.58667
   67    58 S   OH   _O37    57     1.42901   109.72471   -57.37791
   68    67 S   HO   _H22    58     0.96839   106.38342   180.00000
   69    43 S   SA   _S2_    68     1.71555   122.34520  -120.00458
   70    62 S   CA   _C16    70     1.39196   120.04998   150.03297
   71    70 S   HA   _H11    71     1.08628   121.46603     0.14671
   72    70 S   CA   _C17    72     1.38751   118.79727  -179.90721
   73    72 S   HA   _H12    73     1.08310   122.80697  -180.00000
   74    72 S   NAP  _N6_    74     1.34062   120.07749     0.06256
   75    74 S   CA   _C18    75     1.34003   122.33930    -0.06561
   76    75 S   HA   _H13    76     1.08336   117.11127   179.94766
   77    74 S   CT   _C20    79     1.45919   118.82633   179.96044
   78    77 S   HC   _H15    80     1.09559   108.44495  -135.00676
   79    77 S   HC   _H16    81     1.09535   108.39159   -17.56831
   80    62 S   CA   _C19    77     1.39145   120.04442   -29.83414
   81    80 S   HA   _H14    78     1.08626   121.52081    -0.03956
   82    77 S   C    _C21    82     1.50409   111.01237   103.66697
   83    82 S   O    _O36    83     1.22841   123.96674   -29.71500
   84    82 S   N    _N7_    84     1.37736   112.28679   150.22497
   85    84 S   H    _H17    85     1.01511   122.28326     0.01978
   86    84 S   H    _H18    86     1.01460   120.99250  -179.98022
  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  10   5   4   3
  19   2   1   1  14  11  13   5   1   1   7  10   4  13   6   7
  12   5   6   4  10   3   2   1   1   7   6   5   2  10   5   3
   2   1   1   1   1   8   4   9   3  10   7   3   8   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    46    51    52    54    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    44    49    46    47    51    52    54    55    56    57    40    41    42    38    43    48    69  
   35    36  
   36  
    0  
   39    44    45    49    46    47    51    52    54    40    41    42    38    43  
   43    48    53    60    69    39    40    46    51    52    54  
   44    45    49    50    46    47    51    52    54    58    40    41    42  
   41    42    44    46    51  
   42  
    0  
   48    53    60    61    69    62    51  
   45    49    50    46    47    51    58    59    63    67  
   49    50    46    58  
   47    51    52    54    55    56    57    58    59    63    67    49    50  
   51    52    54    58    49    50  
   53    60    61    69    62    70    80  
   50    51    52    54    58    59    63    64    65    66    67    68  
   51    58    59    63    67  
   52    54    55    56    57    58  
   54    55    56    57  
   60    61    69    62    70    71    72    75    80    81  
   55    56    57  
   56    57  
   57  
    0  
   59    63    64    65    66    67    68  
   63    64    65    66    67    68  
   61    69    62    70    80  
   69    62  
   70    71    72    73    74    75    76    80    81    69  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68  
    0  
    0  
   71    72    73    74    75    80    81    77  
   72    73    74    80  
   73    74    75    76    80    77    78    79    82  
   74    75    77  
   75    76    80    81    77    78    79    82    83    84  
   76    80    81    77    78    79    82  
   80    81    77  
   78    79    82    83    84    85    86    80  
   79    82    83    84  
   82    83    84  
   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0700   0.453400   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   49   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   70   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   75   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.002500   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   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   84   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   85   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    51   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    44   440.000  1.369
   39    46   305.000  1.456
   44    45   930.000  1.212
   44    49   250.000  1.540
   49    50   340.000  1.090
   49    46   268.000  1.529
   49    58   260.000  1.519
   46    47   340.000  1.090
   46    51   260.000  1.519
   51    52   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   245.000  1.755
   43    48   488.000  1.335
   43    69   250.000  1.765
   48    53   410.000  1.394
   53    60   520.000  1.370
   53    62   330.000  1.454
   60    61   367.000  1.080
   60    69   265.000  1.745
   62    70   469.000  1.400
   62    80   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   485.000  1.342
   74    75   485.000  1.342
   74    77   280.000  1.457
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   317.000  1.522
   82    83   570.000  1.229
   82    84   490.000  1.335
   84    85   434.000  1.010
   84    86   434.000  1.010
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    51    46    70.00000  112.98000
   33    51    52    37.50000  110.70000
   33    51    54    58.35000  112.70000
   33    38    43    85.00000   97.05500
   37    39    44    50.00000  132.10000
   37    39    46    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    44    45    75.00000  131.60000
   39    44    49    95.00000   92.72400
   39    46    49   105.00000   87.49700
   39    46    47    50.00000  112.01000
   39    46    51    80.00000  110.05700
   44    49    50    40.00000  113.37500
   44    49    46   100.00000   86.36000
   44    49    58    63.00000  111.10000
   49    44    45    60.00000  136.58000
   49    46    47    37.50000  110.70000
   49    46    51    65.00000  119.52000
   49    58    59    45.00000  111.22300
   49    58    63    70.00000  112.98000
   49    58    67    50.00000  109.50000
   46    39    44   100.00000   93.00000
   46    49    50    37.50000  110.70000
   46    51    52    45.00000  111.22300
   46    51    54    70.00000  112.98000
   51    33    37    70.00000  112.02700
   51    46    47    45.00000  112.72800
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   54    51    52    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    49    50    45.00000  112.72800
   58    49    46    65.00000  119.52000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   58    67    68    55.00000  108.50000
   63    58    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    63    50.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    51    75.00000  111.63000
   38    43    48    70.00000  126.12900
   38    43    69    70.00000  123.41300
   43    48    53    70.00000  110.00000
   43    69    60   120.00000   89.04400
   48    53    60    70.00000  111.00000
   48    53    62    70.00000  121.90000
   53    60    61    35.00000  130.70000
   53    60    69    80.00000  111.29200
   53    62    70    65.00000  120.49500
   53    62    80    65.00000  120.49500
   69    43    48    80.00000  114.57700
   69    60    61    40.00000  122.38200
   62    53    60    55.00000  131.00000
   62    70    71    35.00000  120.00000
   62    70    72    63.00000  120.00000
   62    80    75    63.00000  120.00000
   62    80    81    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  119.29800
   72    70    71    35.00000  120.00000
   72    74    75    70.00000  123.81700
   72    74    77    70.00000  119.18700
   74    72    73    45.00000  112.84900
   74    75    76    45.00000  112.84900
   74    75    80    70.00000  119.29800
   74    77    78    50.00000  106.41000
   74    77    79    50.00000  106.41000
   74    77    82    80.00000  106.82000
   75    80    81    35.00000  120.00000
   80    62    70    63.00000  120.00000
   80    75    76    35.00000  120.00000
   77    74    75    70.00000  119.18700
   77    82    83    80.00000  120.40000
   77    82    84    70.00000  116.60000
   79    77    78    33.00000  107.80000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    84    85    35.00000  119.80000
   82    84    86    35.00000  119.80000
   84    82    83    80.00000  122.90000
   86    84    85    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  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    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    44   0.00000  1.0 1.0
   33    37   -39    46   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    57   0.15000  1.0 3.0
   33    38    43    48   0.63150 -1.0 2.0
   33    38    43    69   0.63150 -1.0 2.0
   37    33   -51    46   0.34400  1.0 1.0
   37    33   -51    46   0.09450 -1.0 2.0
   37    33   -51    46   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    54   0.34400  1.0 1.0
   37    33    51    54   0.09450 -1.0 2.0
   37    33    51    54   0.11100  1.0 3.0
   37    33    38    43   0.00000  1.0 1.0
   37    39    44    45   3.00000 -1.0 2.0
   37    39    44    49   3.00000 -1.0 2.0
   37    39   -46    49   0.00000  1.0 1.0
   37    39    46    47   0.00000  1.0 1.0
   37    39   -46    51   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    44    49    50   0.00000  1.0 1.0
   39    44   -49    46   3.00000 -1.0 2.0
   39    44    49    58   1.39750  1.0 1.0
   39    44    49    58  -0.07950 -1.0 2.0
   39    44    49    58  -0.18750  1.0 3.0
   39    46   -51    33   0.43900  1.0 1.0
   39    46   -51    33   0.49100 -1.0 2.0
   39    46   -51    33   0.28400  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    54   0.43900  1.0 1.0
   39    46    51    54   0.49100 -1.0 2.0
   39    46    51    54   0.28400  1.0 3.0
   44    39   -46    49   0.00000  1.0 1.0
   44    39    46    47   0.00000  1.0 1.0
   44    39    46    51   0.00000  1.0 1.0
   44    49   -46    39   3.00000 -1.0 2.0
   44    49   -46    47   0.15000  1.0 3.0
   44    49   -46    51  -0.95700  1.0 1.0
   44    49   -46    51  -0.18200 -1.0 2.0
   44    49   -46    51   0.29450  1.0 3.0
   44    49    58    59  -0.11250  1.0 3.0
   44    49    58    63  -0.95700  1.0 1.0
   44    49    58    63  -0.18200 -1.0 2.0
   44    49    58    63   0.29450  1.0 3.0
   44    49    58    67  -0.09450  1.0 1.0
   44    49    58    67  -1.12950 -1.0 2.0
   44    49    58    67   0.54000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    46  -0.11250  1.0 1.0
   45    44    49    46   0.11400 -1.0 2.0
   45    44    49    46  -0.28950  1.0 3.0
   45    44    49    58   0.30150 -1.0 2.0
   49    46    51    33   0.04050  1.0 1.0
   49    46    51    33   0.63700 -1.0 2.0
   49    46    51    33   0.17650  1.0 3.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    54   0.04050  1.0 1.0
   49    46    51    54   0.63700 -1.0 2.0
   49    46    51    54   0.17650  1.0 3.0
   49    58    63    64   0.15000  1.0 3.0
   49    58    63    65   0.15000  1.0 3.0
   49    58    63    66   0.15000  1.0 3.0
   49    58    67    68  -0.11600  1.0 1.0
   49    58    67    68  -0.09450 -1.0 2.0
   49    58    67    68   0.21250  1.0 3.0
   50    49   -46    39   0.15000  1.0 3.0
   50    49    46    47   0.15000  1.0 3.0
   50    49    46    51   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.15000  1.0 3.0
   50    49    58    67   0.23400  1.0 3.0
   46    39   -44    45   3.00000 -1.0 2.0
   46    39   -44    49   3.00000 -1.0 2.0
   46    49    58    59   0.00000  1.0 1.0
   46    49    58    63   0.04050  1.0 1.0
   46    49    58    63   0.63700 -1.0 2.0
   46    49    58    63   0.17650  1.0 3.0
   46    49    58    67   0.86500  1.0 1.0
   46    49    58    67  -0.17500 -1.0 2.0
   46    49    58    67   0.20800  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   51    33   -37    39  -0.93550  1.0 1.0
   51    33   -37    39   0.38900 -1.0 2.0
   51    33   -37    39   0.16950  1.0 3.0
   51    33    37    40   0.09850  1.0 1.0
   51    33    37    40   0.15250 -1.0 2.0
   51    33    37    40  -0.50650  1.0 3.0
   51    33    38    43  -0.35400  1.0 1.0
   51    33    38    43  -0.24450 -1.0 2.0
   51    33    38    43   0.44000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   58    49   -46    39   0.43900  1.0 1.0
   58    49   -46    39   0.49100 -1.0 2.0
   58    49   -46    39   0.28400  1.0 3.0
   58    49    46    47   0.15000  1.0 3.0
   58    49    46    51   0.56750  1.0 1.0
   58    49    46    51  -0.07550 -1.0 2.0
   58    49    46    51   0.20000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    67    68   0.19450  1.0 3.0
   63    58    67    68  -0.11600  1.0 1.0
   63    58    67    68  -0.09450 -1.0 2.0
   63    58    67    68   0.21250  1.0 3.0
   67    58    63    64   0.23400  1.0 3.0
   67    58    63    65   0.23400  1.0 3.0
   67    58    63    66   0.23400  1.0 3.0
   40    37    39    44   0.00000  1.0 1.0
   40    37    39    46   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    51    46   0.44750  1.0 1.0
   38    33    51    46  -0.17800 -1.0 2.0
   38    33    51    46   0.20200  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    54   0.44750  1.0 1.0
   38    33    51    54  -0.17800 -1.0 2.0
   38    33    51    54   0.20200  1.0 3.0
   38    43    48    53   3.62500 -1.0 2.0
   38    43    69    60   3.62500 -1.0 2.0
   43    48   -53    60   2.40000 -1.0 2.0
   43    48    53    62   3.62500 -1.0 2.0
   48    43   -69    60   3.62500 -1.0 2.0
   48    53    60    61   3.62500 -1.0 2.0
   48    53   -60    69   3.62500 -1.0 2.0
   48    53    62    70   0.04300  1.0 1.0
   48    53    62    70   0.58850 -1.0 2.0
   48    53    62    70   0.22750  1.0 3.0
   48    53    62    80   0.04300  1.0 1.0
   48    53    62    80   0.58850 -1.0 2.0
   48    53    62    80   0.22750  1.0 3.0
   53    60   -69    43   3.62500 -1.0 2.0
   53    62    70    71   3.62500 -1.0 2.0
   53    62    70    72   3.62500 -1.0 2.0
   53    62    80    75   3.62500 -1.0 2.0
   53    62    80    81   3.62500 -1.0 2.0
   60    53    62    70  -0.19450  1.0 1.0
   60    53    62    70   0.63300 -1.0 2.0
   60    53    62    70   0.07450  1.0 3.0
   60    53    62    80  -0.19450  1.0 1.0
   60    53    62    80   0.63300 -1.0 2.0
   60    53    62    80   0.07450  1.0 3.0
   61    60    69    43   3.62500 -1.0 2.0
   69    43   -48    53   3.62500 -1.0 2.0
   62    53    60    61   3.62500 -1.0 2.0
   62    53    60    69   3.62500 -1.0 2.0
   62    70    72    73   3.62500 -1.0 2.0
   62    70    72    74   3.62500 -1.0 2.0
   70    62    80    75   3.62500 -1.0 2.0
   70    62    80    81   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    77   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    80   3.62500 -1.0 2.0
   72    74    77    78   0.00000  1.0 1.0
   72    74    77    79   0.00000  1.0 1.0
   72    74    77    82   0.00000  1.0 1.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75   -80    62   3.62500 -1.0 2.0
   74    75    80    81   3.62500 -1.0 2.0
   74    77    82    83   0.30150 -1.0 2.0
   74    77    82    84   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    82   0.00000  1.0 1.0
   76    75    80    62   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   80    62    70    71   3.62500 -1.0 2.0
   80    62   -70    72   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    80   3.62500 -1.0 2.0
   77    82    84    85   2.45000 -1.0 2.0
   77    82    84    86   2.45000 -1.0 2.0
   78    77    82    83   0.00000  1.0 1.0
   78    77    82    84   0.00000  1.0 1.0
   79    77    82    83   0.00000  1.0 1.0
   79    77    82    84   0.00000  1.0 1.0
   83    82    84    85   2.45000 -1.0 2.0
   83    82    84    86   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   46    44    39    37   1.00000 -1.0 2.0
   39    49    44    45  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   48    69    43    38   4.00000 -1.0 2.0
   60    62    53    48   4.00000 -1.0 2.0
   69    61    60    53   1.10000 -1.0 2.0
   70    80    62    53   4.00000 -1.0 2.0
   72    71    70    62   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   80    76    75    74   1.10000 -1.0 2.0
   75    81    80    62   1.10000 -1.0 2.0
   77    84    82    83  10.50000 -1.0 2.0
   86    82    84    85   1.00000 -1.0 2.0
END
