* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    159    229     461
    1     0 S   NP   _N1_     1    29.60665    96.80241   -17.17762
    2     1 S   H    _HN1     2     1.02909    76.78811    -1.55394
    3     1 S   H    _H1_     3     1.02875    61.44252   116.95041
    4     1 S   H    _H2_     4     1.02821    68.53453  -117.34502
    5     1 S   CT   _CA1     5     1.50187   170.94870   147.94367
    6     5 S   HC   _HA1     6     1.09611   105.10055    31.82503
    7     5 S   CO3  _C1_     7     1.54176   111.32288   -87.42032
    8     7 S   O2Z  _O11     8     1.26422   115.69881   -70.47977
    9     7 S   O2Z  _O12     9     1.26233   114.73967   107.83702
   10     5 S   CT   _CB1    10     1.53148   107.27659   148.94367
   11    10 S   HC   HB11    11     1.09828   109.96635   -46.32667
   12    10 S   HC   HB12    12     1.09786   110.32239    70.28758
   13    10 S   CT   _CG1    13     1.53065   112.34791  -167.01913
   14    13 S   HC   HG11    14     1.09308   110.54376   -49.59904
   15    13 S   HC   HG12    15     1.09628   110.06467    68.99635
   16    13 S   C    _CD1    16     1.51864   111.79450  -170.95096
   17    16 S   O    _OE1    17     1.22803   122.86133   -15.93704
   18    16 S   N    _N2_    18     1.38621   112.24891   165.13216
   19    18 S   H    _HN2    19     1.01634   119.26636     1.29059
   20    18 S   CT1  _CA2    20     1.46164   123.23047   178.62884
   21    20 S   HC   _HA2    21     1.09730   109.12204     4.41353
   22    20 S   C    _C2_    22     1.53617   109.19577  -111.10810
   23    22 S   O    _O2_    23     1.23103   122.10650  -152.13948
   24    20 S   CT   _CB2    32     1.53433   112.09467   126.15007
   25    24 S   HC   HB21    33     1.09326   110.48621    61.83001
   26    24 S   HC   HB22    34     1.09578   109.86983   178.94353
   27    22 S   N    _N3_    24     1.38288   114.00695    35.42913
   28    27 S   H    _HN3    25     1.01565   119.59498    -3.83849
   29    24 S   S    _SG2    35     1.82986   112.46655   -62.76816
   30    27 S   CT   _CA3    26     1.45278   123.13240   177.07624
   31    30 S   HC   HA31    27     1.09552   107.57220   -62.89099
   32    30 S   HC   HA32    28     1.09559   107.89607    53.51109
   33    29 S   CT   _C17    36     1.85296   100.46900   122.79459
   34    33 S   HC   _H6_    37     1.09409   105.10019    47.03443
   35    30 S   CO3  _C3_    29     1.52932   114.15898   175.47424
   36    35 S   O2Z  _O31    30     1.26363   116.10305    -0.02798
   37    35 S   O2Z  _O32    31     1.26442   114.40288  -179.97202
   38    33 S   CM   _C13    38     1.52839   109.98010   -74.59928
   39    38 S   CT   _C12    39     1.52174   113.23238   -67.48135
   40    39 S   HC   _H18    40     1.09604   109.35324    66.86544
   41    39 S   HC   _H19    41     1.09450   112.14985  -176.45199
   42    38 S   CMA  _C14    77     1.36532   123.14182   114.99054
   43    42 S   OM   _O34    78     1.26878   125.14773     1.15029
   44    39 S   CT   _C11    42     1.52825   111.60648   -55.01829
   45    44 S   HC   _H5_    43     1.09722   109.85997   -72.65007
   46    42 S   OS   _O35    79     1.41838   111.58285  -179.93744
   47    44 S   CT   _C10    44     1.54161   113.32885    51.60032
   48    47 S   HC   _H4_    45     1.09738   110.14006    70.26622
   49    44 S   NP   _N4_    73     1.49469   107.67078   172.77322
   50    49 S   H    _H25    74     1.03393   111.92649    47.81727
   51    49 S   H    _H26    75     1.02903   111.73098   -71.39966
   52    49 S   H    _H27    76     1.02767   111.64084   168.53362
   53    46 S   CT   _C15    80     1.43174   114.86003   147.03102
   54    53 S   HC   _H20    81     1.09664   110.47527   -50.44659
   55    53 S   HC   _H21    82     1.09586   110.01331    70.98246
   56    33 S   CT   _C9_    46     1.54990   112.65124   163.77211
   57    56 S   HC   _H3_    47     1.09903   107.85977  -174.99900
   58    47 S   N    _N5_    65     1.46985   110.42731  -172.23530
   59    58 S   H    _H28    66     1.01585   117.77477    85.54060
   60    53 S   CT   _C16    83     1.51733   108.01602  -169.77168
   61    60 S   HC   _H22    84     1.09494   110.69499   -57.74880
   62    60 S   HC   _H23    85     1.09457   110.56132    60.60818
   63    60 S   HC   _H24    86     1.09356   110.87741  -178.74539
   64    56 S   OS   _O33    48     1.43737   111.03158   -55.49345
   65    58 S   C    _C18    67     1.38283   123.37922   -93.65099
   66    65 S   O    _O36    68     1.22789   125.26387     3.17169
   67    64 S   CT   _C6_    49     1.43572   114.72783   -86.56590
   68    67 S   HC   _H12    50     1.09672   110.03188    37.25750
   69    65 S   CT   _C19    69     1.50444   112.61444  -178.67633
   70    69 S   HC   _H29    70     1.09390   110.59361    42.02168
   71    69 S   HC   _H30    71     1.09348   109.57515   161.60055
   72    69 S   HC   _H31    72     1.09327   109.32688   -78.52574
   73    67 S   CT   _C5_    51     1.54048   108.86310   -83.34825
   74    73 S   HC   _H10    52     1.09557   109.84288    55.32634
   75    73 S   HC   _H11    53     1.09735   109.70761   -59.83953
   76    67 S   CT   _C7_    58     1.53781   107.82367   155.74998
   77    76 S   HC   _H13    59     1.09683   109.86373    62.12395
   78    76 S   HC   _H14    60     1.09495   110.18195  -179.53902
   79    73 S   CT   _C4_    54     1.52068   113.93130   176.74298
   80    79 S   HC   _H7_    55     1.09357   111.69148    67.37930
   81    79 S   HC   _H8_    56     1.09490   109.98362  -173.47911
   82    79 S   HC   _H9_    57     1.09445   111.02661   -54.01429
   83    76 S   CT   _C8_    61     1.52282   112.87099   -58.56217
   84    83 S   HC   _H15    62     1.09446   111.13645   -54.37781
   85    83 S   HC   _H16    63     1.09347   111.21889    66.89762
   86    83 S   HC   _H17    64     1.09477   110.05517  -174.08421
  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   9   5   4   3
  16   7   2   1   1  14  15   6   5   8   2  13   8   7  14   7
   5   2   1   1   6   5   4   9   3   8   3   3   2   1   1  10
   5   4  15   8   3   2   1   1  10   6   5   7   5   4   3   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    56    57    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    56    57    64    67    58    42    43    46  
   38    39    47    56    57    64    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    56    57    64    49    42    43    46    53  
   40    41    44    45    47    48    56    58    49    50    51    52    42    43    46  
   41    44    45    47    49    42  
   44    45    47    49    42  
   43    46    53    54    55    60    44    56  
   46    53  
   45    47    48    56    57    64    58    59    65    49    50    51    52  
   47    48    56    58    49    50    51    52  
   53    54    55    60    61    62    63  
   48    56    57    64    67    58    59    65    66    69    49    50    51    52  
   56    57    64    58    59    65    49  
   50    51    52    56    58  
   51    52  
   52  
    0  
   54    55    60    61    62    63  
   55    60    61    62    63  
   60    61    62    63  
   57    64    67    68    73    76    58    59    65  
   64    67    58  
   59    65    66    69    70    71    72    64  
   65    66    69  
   61    62    63  
   62    63  
   63  
    0  
   67    68    73    74    75    79    76    77    78    83  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75    79    80    81    82    76    77    78    83    84    85    86  
   73    74    75    79    76    77    78    83  
   70    71    72  
   71    72  
   72  
    0  
   74    75    79    80    81    82    76    77    78    83  
   75    79    80    81    82    76  
   79    80    81    82    76  
   77    78    83    84    85    86    79  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   367.000  1.471
   47    48   340.000  1.090
   47    56   268.000  1.529
   47    58   337.000  1.449
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   434.000  1.010
   49    51   434.000  1.010
   49    52   434.000  1.010
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   39    44    45    37.50000  110.70000
   39    44    47    58.35000  112.70000
   39    44    49    80.00000  111.20000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    47    58    70.00000  110.72300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   47    44    45    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    64    50.00000  109.50000
   47    58    59    38.00000  118.40000
   47    58    65    50.00000  121.90000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    64    67    60.00000  109.50000
   64    56    57    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    73    50.00000  109.50000
   64    67    76    50.00000  109.50000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    83    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    47    48    35.00000  109.50000
   58    47    56    70.00000  110.72300
   58    65    66    80.00000  122.90000
   58    65    69    70.00000  116.60000
   65    58    59    35.00000  119.80000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    80.00000  111.20000
   51    49    50    35.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   42    38    39    70.00000  124.00000
   42    46    53    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    56    64    67   0.06250  1.0 1.0
   33    56    64    67  -0.01100 -1.0 2.0
   33    56    64    67   0.28050  1.0 3.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64   0.23400  1.0 3.0
   38    33    56    47   0.34400  1.0 1.0
   38    33    56    47   0.09450 -1.0 2.0
   38    33    56    47   0.11100  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64   0.61850  1.0 1.0
   38    33    56    64  -0.22750 -1.0 2.0
   38    33    56    64   0.15300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    47   0.34400  1.0 1.0
   38    39   -44    47   0.09450 -1.0 2.0
   38    39   -44    47   0.11100  1.0 3.0
   38    39    44    49  -0.47300  1.0 1.0
   38    39    44    49   0.29700 -1.0 2.0
   38    39    44    49   0.83300  1.0 3.0
   38    42    46    53  -2.26850  1.0 1.0
   38    42    46    53   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    47    48   0.15000  1.0 3.0
   39    44    47    56   0.56750  1.0 1.0
   39    44    47    56  -0.07550 -1.0 2.0
   39    44    47    56   0.20000  1.0 3.0
   39    44    47    58  -0.27100  1.0 1.0
   39    44    47    58  -0.01700 -1.0 2.0
   39    44    47    58  -0.48600  1.0 3.0
   39    44    49    50   0.17350  1.0 3.0
   39    44    49    51   0.17350  1.0 3.0
   39    44    49    52   0.17350  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    44    49   0.19200  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    47   0.15000  1.0 3.0
   41    39    44    49   0.19200  1.0 3.0
   44    47   -56    33   0.56750  1.0 1.0
   44    47   -56    33  -0.07550 -1.0 2.0
   44    47   -56    33   0.20000  1.0 3.0
   44    47    56    57   0.15000  1.0 3.0
   44    47    56    64   0.62750  1.0 1.0
   44    47    56    64  -0.30950 -1.0 2.0
   44    47    56    64   0.27300  1.0 3.0
   44    47    58    59   0.00000  1.0 1.0
   44    47    58    65  -0.43950  1.0 1.0
   44    47    58    65  -0.08100 -1.0 2.0
   44    47    58    65   0.03350  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    56   0.15000  1.0 3.0
   45    44    47    58   0.15000  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   47    44    49    50   0.17350  1.0 3.0
   47    44    49    51   0.17350  1.0 3.0
   47    44    49    52   0.17350  1.0 3.0
   47    56    64    67   0.06250  1.0 1.0
   47    56    64    67  -0.01100 -1.0 2.0
   47    56    64    67   0.28050  1.0 3.0
   47    58    65    66   3.04450 -1.0 2.0
   47    58    65    69   1.49850  1.0 1.0
   47    58    65    69   1.53950 -1.0 2.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    64   0.23400  1.0 3.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    65   0.00000  1.0 1.0
   56    33   -38    39   0.46850  1.0 1.0
   56    33   -38    39   0.08550 -1.0 2.0
   56    33   -38    39   0.09800  1.0 3.0
   56    33    38    42   0.09850  1.0 1.0
   56    33    38    42   0.15250 -1.0 2.0
   56    33    38    42  -0.50650  1.0 3.0
   56    47    58    59   0.00000  1.0 1.0
   56    47    58    65  -0.43950  1.0 1.0
   56    47    58    65  -0.08100 -1.0 2.0
   56    47    58    65   0.03350  1.0 3.0
   56    64    67    68   0.37050  1.0 3.0
   56    64    67    73   0.06250  1.0 1.0
   56    64    67    73  -0.01100 -1.0 2.0
   56    64    67    73   0.28050  1.0 3.0
   56    64    67    76   0.06250  1.0 1.0
   56    64    67    76  -0.01100 -1.0 2.0
   56    64    67    76   0.28050  1.0 3.0
   57    56    64    67   0.37050  1.0 3.0
   64    67    73    74   0.23400  1.0 3.0
   64    67    73    75   0.23400  1.0 3.0
   64    67    73    79   0.62750  1.0 1.0
   64    67    73    79  -0.30950 -1.0 2.0
   64    67    73    79   0.27300  1.0 3.0
   64    67    76    77   0.23400  1.0 3.0
   64    67    76    78   0.23400  1.0 3.0
   64    67    76    83   0.62750  1.0 1.0
   64    67    76    83  -0.30950 -1.0 2.0
   64    67    76    83   0.27300  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    82   0.15000  1.0 3.0
   67    76    83    84   0.15000  1.0 3.0
   67    76    83    85   0.15000  1.0 3.0
   67    76    83    86   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    83   0.15000  1.0 3.0
   73    67    76    77   0.15000  1.0 3.0
   73    67    76    78   0.15000  1.0 3.0
   73    67    76    83   0.56750  1.0 1.0
   73    67    76    83  -0.07550 -1.0 2.0
   73    67    76    83   0.20000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   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
   75    73    79    82   0.15000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    79   0.56750  1.0 1.0
   76    67    73    79  -0.07550 -1.0 2.0
   76    67    73    79   0.20000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   58    47    56    33  -0.27100  1.0 1.0
   58    47    56    33  -0.01700 -1.0 2.0
   58    47    56    33  -0.48600  1.0 3.0
   58    47    56    57   0.15000  1.0 3.0
   58    47    56    64   1.12100  1.0 1.0
   58    47    56    64  -0.16500 -1.0 2.0
   58    65    69    70   0.00000  1.0 1.0
   58    65    69    71   0.00000  1.0 1.0
   58    65    69    72   0.00000  1.0 1.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    69   2.45000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   49    44    47    48   0.19200  1.0 3.0
   49    44    47    56   1.36600  1.0 1.0
   49    44    47    56  -0.11450 -1.0 2.0
   49    44    47    56   0.24250  1.0 3.0
   49    44    47    58   3.05550  1.0 1.0
   49    44    47    58   2.44300 -1.0 2.0
   49    44    47    58   0.51100  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    54   0.08050  1.0 3.0
   42    46    53    55   0.08050  1.0 3.0
   42    46    53    60  -0.46850  1.0 1.0
   42    46    53    60   0.09300 -1.0 2.0
   42    46    53    60  -0.12850  1.0 3.0
   43    42    46    53   2.00000 -1.0 2.0
   46    53    60    61   0.23400  1.0 3.0
   46    53    60    62   0.23400  1.0 3.0
   46    53    60    63   0.23400  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   59    65    58    47   1.00000 -1.0 2.0
   58    69    65    66  10.50000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
