* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    159    229     461
    1     0 S   NP   _N1_     1    28.96098    95.45138   -17.14672
    2     1 S   H    _HN1     2     1.02923    78.98118   -28.74651
    3     1 S   H    _H1_     3     1.02873    63.54247    87.18147
    4     1 S   H    _H2_     4     1.02813    64.44647  -145.04496
    5     1 S   CT   _CA1     5     1.50126   170.00058   144.21705
    6     5 S   HC   _HA1     6     1.09604   105.24266     7.41095
    7     5 S   CO3  _C1_     7     1.54204   111.30580  -111.93129
    8     7 S   O2Z  _O11     8     1.26344   115.95648   -74.97549
    9     7 S   O2Z  _O12     9     1.26331   115.06292   103.79575
   10     5 S   CT   _CB1    10     1.53269   107.29701   124.63737
   11    10 S   HC   HB11    11     1.09813   110.23222   -46.84372
   12    10 S   HC   HB12    12     1.09772   109.86774    69.49896
   13    10 S   CT   _CG1    13     1.53201   112.23821  -167.46941
   14    13 S   HC   HG11    14     1.09340   110.56758   -35.82941
   15    13 S   HC   HG12    15     1.09595   110.14046    82.50953
   16    13 S   C    _CD1    16     1.51797   111.73986  -157.16390
   17    16 S   O    _OE1    17     1.22831   122.79575   -24.88175
   18    16 S   N    _N2_    18     1.38446   112.28856   155.37546
   19    18 S   H    _HN2    19     1.01666   119.30488     8.25997
   20    18 S   CT1  _CA2    20     1.45714   122.84242  -176.24402
   21    20 S   HC   _HA2    21     1.09722   108.75952    20.65528
   22    20 S   C    _C2_    22     1.52882   107.37667   -96.62163
   23    22 S   O    _O2_    23     1.22946   123.01824   -24.84257
   24    20 S   CT   _CB2    32     1.53284   112.53574   143.11827
   25    24 S   HC   HB21    33     1.09200   110.39062    64.62814
   26    24 S   HC   HB22    34     1.09570   109.99162  -178.44254
   27    22 S   N    _N3_    24     1.38643   112.39738   158.03701
   28    27 S   H    _HN3    25     1.01486   119.73405     0.61421
   29    24 S   S    _SG2    35     1.82921   112.26028   -59.36610
   30    27 S   CT   _CA3    26     1.45423   122.67018   174.90645
   31    30 S   HC   HA31    27     1.09547   108.81684    33.05915
   32    30 S   HC   HA32    28     1.09476   107.20312   150.17038
   33    29 S   CT   _C17    36     1.85190   100.27730   124.49381
   34    33 S   HC   _H6_    37     1.09354   104.94076    47.83641
   35    30 S   CO3  _C3_    29     1.53088   113.72003   -89.82548
   36    35 S   O2Z  _O31    30     1.26365   115.89939   -29.74166
   37    35 S   O2Z  _O32    31     1.26431   114.63209   151.19767
   38    33 S   CM   _C13    38     1.52739   110.06310   -73.87758
   39    38 S   CT   _C12    39     1.52382   113.31376   -68.68764
   40    39 S   HC   _H18    40     1.09627   109.06948    65.80744
   41    39 S   HC   _H19    41     1.09585   112.17418  -177.67375
   42    38 S   CMA  _C14    77     1.36509   124.03380   113.47179
   43    42 S   OM   _O34    78     1.26877   125.15203   178.78759
   44    39 S   CT   _C11    42     1.52708   111.24347   -55.67585
   45    44 S   HC   _H5_    43     1.09722   110.21903   -70.20320
   46    42 S   OS   _O35    79     1.41796   111.64582     0.14671
   47    44 S   CT   _C10    44     1.54109   112.72980    53.62504
   48    47 S   HC   _H4_    45     1.09728   110.19514    68.51190
   49    44 S   NP   _N4_    73     1.49231   107.78601   175.07908
   50    49 S   H    _H25    74     1.03141   111.43640    58.72320
   51    49 S   H    _H26    75     1.03192   112.05199   -59.80027
   52    49 S   H    _H27    76     1.02731   112.05680   179.34300
   53    46 S   CT   _C15    80     1.43252   114.57860  -144.09840
   54    53 S   HC   _H20    81     1.09581   110.01209   -72.03643
   55    53 S   HC   _H21    82     1.09669   110.49579    49.35908
   56    33 S   CT   _C9_    46     1.55082   112.66541   164.14282
   57    56 S   HC   _H3_    47     1.09912   107.64420  -173.78328
   58    47 S   N    _N5_    65     1.47010   110.45043  -173.62591
   59    58 S   H    _H28    66     1.01581   117.73725    83.21759
   60    53 S   CT   _C16    83     1.51756   107.90663   168.66865
   61    60 S   HC   _H22    84     1.09510   110.62751   -59.33664
   62    60 S   HC   _H23    85     1.09500   110.61707    58.93610
   63    60 S   HC   _H24    86     1.09355   110.88663   179.83687
   64    56 S   OS   _O33    48     1.43744   111.08316   -54.43188
   65    58 S   C    _C18    67     1.38271   123.45797   -96.17217
   66    65 S   O    _O36    68     1.22770   125.28375     3.46933
   67    64 S   CT   _C6_    49     1.43579   114.74147   -86.66650
   68    67 S   HC   _H12    50     1.09675   110.00628    37.49244
   69    65 S   CT   _C19    69     1.50446   112.60383  -178.43715
   70    69 S   HC   _H29    70     1.09390   110.59071    42.07106
   71    69 S   HC   _H30    71     1.09348   109.57618   161.64627
   72    69 S   HC   _H31    72     1.09327   109.32892   -78.47645
   73    67 S   CT   _C5_    51     1.54060   108.88867   -83.12193
   74    73 S   HC   _H10    52     1.09554   109.85838    55.32027
   75    73 S   HC   _H11    53     1.09735   109.70520   -59.85040
   76    67 S   CT   _C7_    58     1.53787   107.85571   155.97897
   77    76 S   HC   _H13    59     1.09684   109.86324    62.12980
   78    76 S   HC   _H14    60     1.09495   110.17230  -179.54372
   79    73 S   CT   _C4_    54     1.52070   113.93528   176.72984
   80    79 S   HC   _H7_    55     1.09356   111.69413    67.41242
   81    79 S   HC   _H8_    56     1.09491   109.98247  -173.44902
   82    79 S   HC   _H9_    57     1.09445   111.02635   -53.98529
   83    76 S   CT   _C8_    61     1.52275   112.89920   -58.57573
   84    83 S   HC   _H15    62     1.09447   111.14530   -54.23387
   85    83 S   HC   _H16    63     1.09344   111.20653    67.06521
   86    83 S   HC   _H17    64     1.09478   110.05315  -173.94142
  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
