* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    156    226     454
    1     0 S   NP   _N1_     1    28.71243    96.29529   -23.77894
    2     1 S   H    _HN1     2     1.02948    74.25671     6.60411
    3     1 S   H    _H1_     3     1.02828    34.83419   166.51090
    4     1 S   H    _H2_     4     1.02788   108.13403   -98.01457
    5     1 S   CT   _CA1     5     1.50119   134.71920   109.93033
    6     5 S   HC   _HA1     6     1.09574   105.17498    89.88697
    7     5 S   CO3  _C1_     7     1.53783   112.49129   -30.31053
    8     7 S   O2Z  _O11     8     1.26372   115.00272   -41.70545
    9     7 S   O2Z  _O12     9     1.26240   114.94672   137.37785
   10     5 S   CT   _CB1    10     1.53075   107.41095  -152.13972
   11    10 S   HC   HB11    11     1.09835   109.33735   -49.60511
   12    10 S   HC   HB12    12     1.09811   110.46218    67.00053
   13    10 S   CT   _CG1    13     1.52991   112.62142  -170.57598
   14    13 S   HC   HG11    14     1.09580   110.65190   -66.57974
   15    13 S   HC   HG12    15     1.09673   109.75640    52.65006
   16    13 S   C    _CD1    16     1.51807   112.19186   173.09203
   17    16 S   O    _OE1    17     1.22736   123.26723     8.36886
   18    16 S   N    _N2_    18     1.38635   111.66732  -171.59697
   19    18 S   H    _HN2    19     1.01578   118.98995     1.47286
   20    18 S   CT1  _CA2    20     1.46252   123.49134   177.44687
   21    20 S   HC   _HA2    21     1.09741   109.27403     6.27717
   22    20 S   C    _C2_    22     1.53644   109.07675  -109.26635
   23    22 S   O    _O2_    23     1.23077   122.22492  -151.14647
   24    20 S   CT   _CB2    32     1.53310   111.34135   128.21089
   25    24 S   HC   HB21    33     1.09488   109.74257    55.55016
   26    24 S   HC   HB22    34     1.09502   110.34660   174.78061
   27    22 S   N    _N3_    24     1.38310   113.90999    36.44755
   28    27 S   H    _HN3    25     1.01547   119.58769    -3.44065
   29    24 S   S    _SG2    35     1.82714   111.26705   -65.49316
   30    27 S   CT   _CA3    26     1.45273   123.25119   177.11948
   31    30 S   HC   HA31    27     1.09548   107.53180   -64.36032
   32    30 S   HC   HA32    28     1.09557   107.97501    52.09080
   33    29 S   CT   _C8_    36     1.84903    99.57844  -179.86012
   34    33 S   HC   _H3_    37     1.09432   105.03317    45.49305
   35    30 S   CO3  _C3_    29     1.52963   114.05434   174.08507
   36    35 S   O2Z  _O31    30     1.26381   116.07807    -0.11869
   37    35 S   O2Z  _O32    31     1.26427   114.41500   179.93147
   38    33 S   CM   _C4_    38     1.52875   109.97026   -75.84712
   39    38 S   CT   _C7_    39     1.52510   113.29832   -68.43176
   40    39 S   HC   _H24    40     1.09741   109.20426    66.33659
   41    39 S   HC   _H25    41     1.09590   112.25263  -177.48153
   42    38 S   CMA  _C5_    76     1.36544   122.89711   114.11736
   43    42 S   OM   _O19    77     1.26921   125.32472     0.12667
   44    39 S   CT   _C9_    42     1.53536   111.09698   -55.65488
   45    44 S   HC   _H27    43     1.09891   108.42194   -67.07589
   46    42 S   OS   _O21    78     1.41781   111.74503   178.38420
   47    44 S   CT   _C10    44     1.54595   112.48182    53.25607
   48    47 S   HC   _H28    45     1.09730   110.27305    68.85589
   49    44 S   NT   _N17    73     1.46755   109.25131   176.09214
   50    49 S   H    _H49    74     1.01912   109.42368   179.04941
   51    49 S   H    _H50    75     1.01905   109.67511    62.29709
   52    46 S   CT   _C18    79     1.43174   114.02173   138.30491
   53    52 S   HC   _H46    80     1.09674   110.38695   -50.25503
   54    52 S   HC   _H47    81     1.09588   110.15872    71.13296
   55    33 S   CT   _C11    46     1.54835   112.67245   161.88223
   56    55 S   HC   _H29    47     1.09928   107.82485  -173.93861
   57    47 S   N    _N18    65     1.47061   109.69250  -173.30675
   58    57 S   H    _H51    66     1.01526   117.58299    46.23621
   59    52 S   CT   _C15    82     1.51748   107.88644  -169.61717
   60    59 S   HC   _H39    83     1.09504   110.61594   -59.07843
   61    59 S   HC   _H40    84     1.09510   110.58386    59.17383
   62    59 S   HC   _H41    85     1.09357   110.90197  -179.96044
   63    55 S   OS   _O22    48     1.43767   110.69164   -54.66380
   64    57 S   C    _C6_    67     1.38363   123.32050  -139.09385
   65    64 S   O    _O20    68     1.22737   125.86122     2.23695
   66    63 S   CT   _C19    49     1.43509   114.59168   -88.53972
   67    66 S   HC   _H48    50     1.09694   109.97579    37.10381
   68    64 S   CT   _C12    69     1.50462   112.17222  -177.31562
   69    68 S   HC   _H30    70     1.09355   109.58190    67.18321
   70    68 S   HC   _H31    71     1.09345   109.73282  -173.02456
   71    68 S   HC   _H32    72     1.09373   110.09596   -53.31965
   72    66 S   CT   _C16    51     1.54038   108.80435   -83.54194
   73    72 S   HC   _H42    52     1.09575   109.89651    54.12211
   74    72 S   HC   _H43    53     1.09731   109.69258   -61.05259
   75    66 S   CT   _C17    58     1.53770   107.86957   155.60525
   76    75 S   HC   _H44    59     1.09685   109.86929    61.93723
   77    75 S   HC   _H45    60     1.09494   110.17181  -179.73459
   78    72 S   CT   _C13    54     1.52058   113.86317   175.65328
   79    78 S   HC   _H33    55     1.09354   111.69971    67.03374
   80    78 S   HC   _H34    56     1.09489   109.98293  -173.79629
   81    78 S   HC   _H35    57     1.09445   111.01904   -54.33994
   82    75 S   CT   _C14    61     1.52287   112.86804   -58.73883
   83    82 S   HC   _H36    62     1.09446   111.15566   -54.15856
   84    82 S   HC   _H37    63     1.09340   111.21005    67.12481
   85    82 S   HC   _H38    64     1.09477   110.05442  -173.88208
  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  14   6   5   8   2  12   7   7  13   7
   4   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    56    63    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    55    56    63    66    57    42    43    46  
   38    39    47    55    56    63    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    63    49    42    43    46    52  
   40    41    44    45    47    48    55    57    49    50    51    42    43    46  
   41    44    45    47    49    42  
   44    45    47    49    42  
   43    46    52    53    54    59    44    55  
   46    52  
   45    47    48    55    56    63    57    58    64    49    50    51  
   47    48    55    57    49    50    51  
   52    53    54    59    60    61    62  
   48    55    56    63    66    57    58    64    65    68    49    50    51  
   55    56    63    57    58    64    49  
   50    51    55    57  
   51  
    0  
   53    54    59    60    61    62  
   54    59    60    61    62  
   59    60    61    62  
   56    63    66    67    72    75    57    58    64  
   63    66    57  
   58    64    65    68    69    70    71    63  
   64    65    68  
   60    61    62  
   61    62  
   62  
    0  
   66    67    72    73    74    78    75    76    77    82  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    78    79    80    81    75    76    77    82    83    84    85  
   72    73    74    78    75    76    77    82  
   69    70    71  
   70    71  
   71  
    0  
   73    74    78    79    80    81    75    76    77    82  
   74    78    79    80    81    75  
   78    79    80    81    75  
   76    77    82    83    84    85    78  
   77    82    83    84    85  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   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   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    55   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   382.000  1.448
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   337.000  1.449
   55    56   340.000  1.090
   55    63   320.000  1.410
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   57    58   434.000  1.010
   57    64   490.000  1.335
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    50   434.000  1.010
   49    51   434.000  1.010
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    55    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    63    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    56.20000  109.47000
   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    55    58.35000  112.70000
   44    47    57    70.00000  110.72300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   47    44    45    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    63    50.00000  109.50000
   47    57    58    38.00000  118.40000
   47    57    64    50.00000  121.90000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    63    66    60.00000  109.50000
   63    55    56    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    72    50.00000  109.50000
   63    66    75    50.00000  109.50000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    82    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   57    47    48    35.00000  109.50000
   57    47    55    70.00000  110.72300
   57    64    65    80.00000  122.90000
   57    64    68    70.00000  116.60000
   64    57    58    35.00000  119.80000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    56.20000  109.47000
   51    49    50    43.60000  106.40000
   42    38    39    70.00000  124.00000
   42    46    52    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    63   0.56750  1.0 1.0
   29    33    55    63  -0.07550 -1.0 2.0
   29    33    55    63   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    55    63    66   0.06250  1.0 1.0
   33    55    63    66  -0.01100 -1.0 2.0
   33    55    63    66   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    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    63   0.23400  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    63   0.61850  1.0 1.0
   38    33    55    63  -0.22750 -1.0 2.0
   38    33    55    63   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   0.59950  1.0 1.0
   38    39    44    49  -0.21400 -1.0 2.0
   38    39    44    49   0.56200  1.0 3.0
   38    42    46    52  -2.26850  1.0 1.0
   38    42    46    52   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    55   0.56750  1.0 1.0
   39    44    47    55  -0.07550 -1.0 2.0
   39    44    47    55   0.20000  1.0 3.0
   39    44    47    57  -0.27100  1.0 1.0
   39    44    47    57  -0.01700 -1.0 2.0
   39    44    47    57  -0.48600  1.0 3.0
   39    44    49    50  -0.05950  1.0 1.0
   39    44    49    50   0.08850 -1.0 2.0
   39    44    49    50   0.11750  1.0 3.0
   39    44    49    51  -0.05950  1.0 1.0
   39    44    49    51   0.08850 -1.0 2.0
   39    44    49    51   0.11750  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   0.15000  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   0.15000  1.0 3.0
   44    47   -55    33   0.56750  1.0 1.0
   44    47   -55    33  -0.07550 -1.0 2.0
   44    47   -55    33   0.20000  1.0 3.0
   44    47    55    56   0.15000  1.0 3.0
   44    47    55    63   0.62750  1.0 1.0
   44    47    55    63  -0.30950 -1.0 2.0
   44    47    55    63   0.27300  1.0 3.0
   44    47    57    58   0.00000  1.0 1.0
   44    47    57    64  -0.43950  1.0 1.0
   44    47    57    64  -0.08100 -1.0 2.0
   44    47    57    64   0.03350  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    57   0.15000  1.0 3.0
   45    44    49    50   0.20000  1.0 3.0
   45    44    49    51   0.20000  1.0 3.0
   47    44    49    50  -0.05950  1.0 1.0
   47    44    49    50   0.08850 -1.0 2.0
   47    44    49    50   0.11750  1.0 3.0
   47    44    49    51  -0.05950  1.0 1.0
   47    44    49    51   0.08850 -1.0 2.0
   47    44    49    51   0.11750  1.0 3.0
   47    55    63    66   0.06250  1.0 1.0
   47    55    63    66  -0.01100 -1.0 2.0
   47    55    63    66   0.28050  1.0 3.0
   47    57    64    65   3.04450 -1.0 2.0
   47    57    64    68   1.49850  1.0 1.0
   47    57    64    68   1.53950 -1.0 2.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    63   0.23400  1.0 3.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    64   0.00000  1.0 1.0
   55    33   -38    39   0.46850  1.0 1.0
   55    33   -38    39   0.08550 -1.0 2.0
   55    33   -38    39   0.09800  1.0 3.0
   55    33    38    42   0.09850  1.0 1.0
   55    33    38    42   0.15250 -1.0 2.0
   55    33    38    42  -0.50650  1.0 3.0
   55    47    57    58   0.00000  1.0 1.0
   55    47    57    64  -0.43950  1.0 1.0
   55    47    57    64  -0.08100 -1.0 2.0
   55    47    57    64   0.03350  1.0 3.0
   55    63    66    67   0.37050  1.0 3.0
   55    63    66    72   0.06250  1.0 1.0
   55    63    66    72  -0.01100 -1.0 2.0
   55    63    66    72   0.28050  1.0 3.0
   55    63    66    75   0.06250  1.0 1.0
   55    63    66    75  -0.01100 -1.0 2.0
   55    63    66    75   0.28050  1.0 3.0
   56    55    63    66   0.37050  1.0 3.0
   63    66    72    73   0.23400  1.0 3.0
   63    66    72    74   0.23400  1.0 3.0
   63    66    72    78   0.62750  1.0 1.0
   63    66    72    78  -0.30950 -1.0 2.0
   63    66    72    78   0.27300  1.0 3.0
   63    66    75    76   0.23400  1.0 3.0
   63    66    75    77   0.23400  1.0 3.0
   63    66    75    82   0.62750  1.0 1.0
   63    66    75    82  -0.30950 -1.0 2.0
   63    66    75    82   0.27300  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    81   0.15000  1.0 3.0
   66    75    82    83   0.15000  1.0 3.0
   66    75    82    84   0.15000  1.0 3.0
   66    75    82    85   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    82   0.15000  1.0 3.0
   72    66    75    76   0.15000  1.0 3.0
   72    66    75    77   0.15000  1.0 3.0
   72    66    75    82   0.56750  1.0 1.0
   72    66    75    82  -0.07550 -1.0 2.0
   72    66    75    82   0.20000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   75    66    72    73   0.15000  1.0 3.0
   75    66    72    74   0.15000  1.0 3.0
   75    66    72    78   0.56750  1.0 1.0
   75    66    72    78  -0.07550 -1.0 2.0
   75    66    72    78   0.20000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   77    75    82    83   0.15000  1.0 3.0
   77    75    82    84   0.15000  1.0 3.0
   77    75    82    85   0.15000  1.0 3.0
   57    47    55    33  -0.27100  1.0 1.0
   57    47    55    33  -0.01700 -1.0 2.0
   57    47    55    33  -0.48600  1.0 3.0
   57    47    55    56   0.15000  1.0 3.0
   57    47    55    63   1.12100  1.0 1.0
   57    47    55    63  -0.16500 -1.0 2.0
   57    64    68    69   0.00000  1.0 1.0
   57    64    68    70   0.00000  1.0 1.0
   57    64    68    71   0.00000  1.0 1.0
   58    57    64    65   2.45000 -1.0 2.0
   58    57    64    68   2.45000 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  1.0 1.0
   49    44    47    48   0.15000  1.0 3.0
   49    44    47    55   1.85550  1.0 1.0
   49    44    47    55  -0.84100 -1.0 2.0
   49    44    47    57   2.65250  1.0 1.0
   49    44    47    57   0.86150 -1.0 2.0
   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    52    53   0.08050  1.0 3.0
   42    46    52    54   0.08050  1.0 3.0
   42    46    52    59  -0.46850  1.0 1.0
   42    46    52    59   0.09300 -1.0 2.0
   42    46    52    59  -0.12850  1.0 3.0
   43    42    46    52   2.00000 -1.0 2.0
   46    52    59    60   0.23400  1.0 3.0
   46    52    59    61   0.23400  1.0 3.0
   46    52    59    62   0.23400  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   58    64    57    47   1.00000 -1.0 2.0
   57    68    64    65  10.50000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
