* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    247     456
    1     0 S   NP   _N1_     1    28.89595    93.58019   -20.10655
    2     1 S   H    _HN1     2     1.02756    79.22196   -77.51730
    3     1 S   H    _H1_     3     1.03115   103.45717    28.60452
    4     1 S   H    _H2_     4     1.02935    32.25202   129.62388
    5     1 S   CT   _CA1     5     1.50565   136.81684   171.47221
    6     5 S   HC   _HA1     6     1.09672   104.73240    42.84925
    7     5 S   CO3  _C1_     7     1.54514   110.85563   -73.09515
    8     7 S   O2Z  _O11     8     1.26034   116.74778  -120.11317
    9     7 S   O2Z  _O12     9     1.26571   113.77735    58.80223
   10     5 S   CT   _CB1    10     1.53039   106.83748   158.94381
   11    10 S   HC   HB11    11     1.09836   109.98871   -43.04299
   12    10 S   HC   HB12    12     1.09706   109.94950    73.39564
   13    10 S   CT   _CG1    13     1.53091   112.88611  -164.02107
   14    13 S   HC   HG11    14     1.09468   110.85313   -50.55369
   15    13 S   HC   HG12    15     1.09597   110.23261    68.49651
   16    13 S   C    _CD1    16     1.51787   111.14865  -171.78785
   17    16 S   O    _OE1    17     1.22811   122.79494   -23.72739
   18    16 S   N    _N2_    18     1.38547   112.23693   156.94756
   19    18 S   H    _HN2    19     1.01568   119.27721     2.40224
   20    18 S   CT1  _CA2    20     1.46200   123.07302  -175.34020
   21    20 S   HC   _HA2    21     1.09730   109.30521   -13.41716
   22    20 S   C    _C2_    22     1.53336   108.60942  -129.31503
   23    22 S   O    _O2_    23     1.23017   122.21821  -146.16788
   24    20 S   CT   _CB2    32     1.53539   111.44885   108.25398
   25    24 S   HC   HB21    33     1.09608   109.89084    58.69702
   26    24 S   HC   HB22    34     1.09528   110.30111   177.66150
   27    22 S   N    _N3_    24     1.38505   113.36740    41.23899
   28    27 S   H    _HN3    25     1.01532   118.89060    -0.59774
   29    24 S   S    _SG2    35     1.82646   112.03424   -62.01624
   30    27 S   CT   _CA3    26     1.45445   123.40805   175.06370
   31    30 S   HC   HA31    27     1.09527   109.17578    25.49438
   32    30 S   HC   HA32    28     1.09494   107.13592   142.49020
   33    29 S   CT   _C21    36     1.82428    98.98578   176.81113
   34    33 S   HC   _H3_    37     1.09506   107.69594    71.86424
   35    33 S   HC   _H4_    38     1.09535   109.05580   -45.36637
   36    30 S   CO3  _C3_    29     1.52931   113.16599   -97.93942
   37    36 S   O2Z  _O31    30     1.26398   115.42779   -43.95357
   38    36 S   O2Z  _O32    31     1.26359   114.96793   136.99221
   39    33 S   CT   _C22    39     1.53384   110.82186  -167.40053
   40    39 S   HC   _H48    40     1.09763   109.47013   -50.46918
   41    39 S   CO4  _C10    41     1.52008   111.13006    70.42641
   42    41 S   O    _O22    42     1.22410   124.21043    45.38616
   43    39 S   CT   _C20    79     1.52744   110.74944  -169.57555
   44    43 S   HC   _H43    80     1.09579   111.37980   -59.53833
   45    43 S   HC   _H44    81     1.09488   110.87140    60.95490
   46    43 S   HC   _H45    82     1.09565   110.81596  -179.11929
   47    41 S   OS   _O26    43     1.36598   109.87724  -136.60154
   48    47 S   CT   _C17    44     1.45404   117.59400  -177.34583
   49    48 S   HC   _H39    45     1.09716   109.05103   -30.34087
   50    48 S   CT   _C11    46     1.55429   103.86922    87.68099
   51    50 S   HC   _H31    47     1.09882   108.24133    64.83584
   52    50 S   HC   _H32    48     1.09825   109.30978   -48.08305
   53    48 S   CT   _C14    62     1.56827   109.14249  -149.09044
   54    53 S   HC   _H36    63     1.09845   108.82657   -77.53075
   55    50 S   CM   _C5_    49     1.47923   116.82960  -170.49734
   56    53 S   CM   _C6_    64     1.50678   118.06502    43.56034
   57    55 S   CM   _C4_    50     1.33158   128.74172  -114.17961
   58    57 S   HC   _H28    51     1.08120   124.71284    -1.42244
   59    56 S   CO4  _C8_    65     1.47747   109.93436   139.49158
   60    59 S   O    _O21    66     1.21859   127.44571   174.61926
   61    56 S   CM   _C9_    68     1.33743   131.59448   -44.22194
   62    61 S   HC   _H29    69     1.08176   122.43099    -0.20936
   63    61 S   HC   _H30    70     1.08606   121.73106  -178.60605
   64    57 S   CT   _C13    52     1.47896   110.73101   168.56153
   65    64 S   HC   _H35    53     1.09464   111.06009   129.53913
   66    80 S   OS   _O24    67     1.43562   108.10185   104.53833
   67    64 S   CT   _C12    54     1.54507   112.44197  -105.57508
   68    67 S   HC   _H33    55     1.09665   108.87006   179.57342
   69    67 S   HC   _H34    56     1.09752   109.36138   -64.10373
   70    64 S   OS   _O23    76     1.43350   103.30208    13.35616
   71    67 S   C3T  _C18    57     1.51766   112.91637    58.77508
   72    55 S   CO4  _C7_    77     1.46800   124.89657    65.30664
   73    72 S   O    _O20    78     1.21815   125.68793     4.92883
   74    71 S   C3T  _C16    58     1.53359   116.79157   -71.84472
   75    74 S   HC   _H38    59     1.08089   122.06975    -7.51170
   76    71 S   CT   _C19    72     1.50487   116.96279    88.16676
   77    76 S   HC   _H40    73     1.09574   111.84465   161.40259
   78    76 S   HC   _H41    74     1.09491   110.61039    42.23858
   79    76 S   HC   _H42    75     1.09230   111.43725   -78.14425
   80    74 S   CT   _C15    60     1.49646   120.00422   146.41308
   81    80 S   HC   _H37    61     1.09531   110.45764   -11.90051
   82    71 S   O3T  _O25    71     1.43303   116.82743  -137.34299
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  16
   8  13   5   4  15   7   8   9  10   5   8   3   4   1   1  11
   6   6  13   6   5   3   9   1   1   8   4   5   3   2   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    80    53    54    56  
   49    50    51    52    55    57    74    80    81    53    54    56    59    66    61    72  
   50    51    52    55    80    53    54    56  
   51    52    55    57    58    64    80    53    54    56    70    72    73  
   52    55    57    53    72  
   55    57    53    72  
   54    56    59    60    66    61    62    63    82    55    71    74    75    80    81  
   56    59    66    61    74    80    81  
   57    58    64    65    67    70    72    73  
   59    60    66    61    62    63    74    80    81  
   58    64    65    67    68    69    71    70    72    73  
   64    65    67    70    72  
   60    66    61    62    63    74    80    81  
   66    61    80  
   62    63    66    80  
   63  
    0  
   65    67    68    69    71    74    82    76    70    72    73  
   67    68    69    71    70    72  
   82    71    74    75    80    81  
   68    69    71    74    75    80    82    76    77    78    79    70    72  
   69    71    74    82    76    70  
   71    74    82    76    70  
   72    73    71  
   74    75    80    81    82    76    77    78    79  
   73  
    0  
   75    80    81    82    76    77    78    79  
   80    81    82    76  
   77    78    79    80    82  
   78    79    82  
   79    82  
   82  
   81    82  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    57   549.000  1.340
   55    72   320.000  1.462
   57    58   340.000  1.080
   57    64   317.000  1.510
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   275.000  1.510
   71    74   260.000  1.509
   71    82   335.000  1.432
   71    76   275.000  1.510
   74    75   340.000  1.088
   74    80   275.000  1.510
   74    82   335.000  1.432
   80    81   340.000  1.090
   80    53   268.000  1.529
   80    66   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    66   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.02700
   48    53    80    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    70.00000  124.00000
   50    55    72    65.00000  116.34900
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    64    70.00000  124.00000
   55    72    70    90.00000  111.29400
   55    72    73    80.00000  123.72100
   57    64    65    35.00000  109.50000
   57    64    67    70.00000  112.02700
   57    64    70    85.00000  110.90400
   64    57    58    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    71    70.00000  112.37300
   64    70    72    83.00000  116.90000
   67    64    65    37.50000  110.70000
   67    71    74    60.00000  120.94000
   67    71    82    80.00000  116.47100
   67    71    76    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    45.00000  109.38400
   71    67    69    45.00000  109.38400
   71    74    75    37.50000  117.20000
   71    74    80    60.00000  120.94000
   71    74    82    15.00000   60.43100
   71    82    74    15.00000   59.14900
   71    76    77    45.00000  109.38400
   71    76    78    45.00000  109.38400
   71    76    79    45.00000  109.38400
   74    80    81    45.00000  109.38400
   74    80    53    70.00000  112.37300
   74    80    66    50.00000  109.50000
   80    74    75    40.00000  115.04500
   80    53    54    37.50000  110.70000
   80    53    56    70.00000  112.02700
   80    66    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    80    81    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    66    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   66    80    81    35.00000  109.50000
   66    80    53    50.00000  109.50000
   66    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   82    71    74    15.00000   60.43100
   82    74    75    50.00000  114.27700
   82    74    80    80.00000  116.47100
   76    71    74    60.00000  120.94000
   76    71    82    80.00000  116.47100
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    67    50.00000  109.50000
   70    72    73    83.00000  123.40000
   72    55    57    65.00000  118.96000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.61850  1.0 1.0
   47    48    50    55  -0.22750 -1.0 2.0
   47    48    50    55   0.15300  1.0 3.0
   47    48    53    80   0.62750  1.0 1.0
   47    48    53    80  -0.30950 -1.0 2.0
   47    48    53    80   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.09850  1.0 1.0
   48    50    55    57   0.15250 -1.0 2.0
   48    50    55    57  -0.50650  1.0 3.0
   48    50    55    72   0.09700  1.0 1.0
   48    50    55    72   0.15600 -1.0 2.0
   48    50    55    72  -0.50800  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    80   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    80   0.56750  1.0 1.0
   50    48    53    80  -0.07550 -1.0 2.0
   50    48    53    80   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    64   7.00000 -1.0 2.0
   50    55    72    70  -0.15000  1.0 1.0
   50    55    72    70   0.89550 -1.0 2.0
   50    55    72    70  -0.06900  1.0 3.0
   50    55    72    73  -0.64400  1.0 1.0
   50    55    72    73   0.26850 -1.0 2.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    72   0.15000  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    72   0.15000  1.0 3.0
   55    57    64    65   0.00000  1.0 1.0
   55    57    64    67   0.09850  1.0 1.0
   55    57    64    67   0.15250 -1.0 2.0
   55    57    64    67  -0.50650  1.0 3.0
   55    57   -64    70   0.39000  1.0 1.0
   55    57   -64    70  -0.05800 -1.0 2.0
   55    57   -64    70  -0.55150  1.0 3.0
   57    55   -72    70  -0.56150  1.0 1.0
   57    55   -72    70   2.19150 -1.0 2.0
   57    55    72    73   1.00000 -1.0 2.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    71   0.34400  1.0 1.0
   57    64    67    71   0.09450 -1.0 2.0
   57    64    67    71   0.11100  1.0 3.0
   57    64   -70    72  -0.82050  1.0 1.0
   57    64   -70    72   0.00600 -1.0 2.0
   57    64   -70    72   0.04400  1.0 3.0
   58    57    64    65   0.33100  1.0 3.0
   58    57    64    67   0.00000  1.0 1.0
   58    57    64    70   0.00000  1.0 1.0
   64    67    71    74   0.07850  1.0 1.0
   64    67    71    74  -0.03950 -1.0 2.0
   64    67    71    74   0.67350  1.0 3.0
   64    67    71    82   0.02550  1.0 1.0
   64    67    71    82  -0.02600 -1.0 2.0
   64    67    71    82   1.20400  1.0 3.0
   64    67    71    76   0.56750  1.0 1.0
   64    67    71    76  -0.07550 -1.0 2.0
   64    67    71    76   0.20000  1.0 3.0
   64    70   -72    55   2.00000 -1.0 2.0
   64    70    72    73   3.00000 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.15000  1.0 3.0
   65    64    70    72   0.08050  1.0 3.0
   67    64    70    72  -0.25900  1.0 1.0
   67    64    70    72  -0.47000 -1.0 2.0
   67    64    70    72   0.11750  1.0 3.0
   67    71    74    75   0.15000  1.0 3.0
   67    71    74    80   0.56750  1.0 1.0
   67    71    74    80  -0.07550 -1.0 2.0
   67    71    74    80   0.20000  1.0 3.0
   67    71   -74    82   0.02550  1.0 1.0
   67    71   -74    82  -0.02600 -1.0 2.0
   67    71   -74    82   1.20400  1.0 3.0
   67    71   -82    74   0.06250  1.0 1.0
   67    71   -82    74  -0.01100 -1.0 2.0
   67    71   -82    74   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    71    82   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   69    67    71    74   0.15000  1.0 3.0
   69    67    71    82   0.23400  1.0 3.0
   69    67    71    76   0.15000  1.0 3.0
   71    74    80    81   0.15000  1.0 3.0
   71    74    80    53   0.07850  1.0 1.0
   71    74    80    53  -0.03950 -1.0 2.0
   71    74    80    53   0.67350  1.0 3.0
   71    74    80    66  -0.26800  1.0 1.0
   71    74    80    66   0.69150 -1.0 2.0
   71    74    80    66  -0.48750  1.0 3.0
   74    71    76    77   0.15000  1.0 3.0
   74    71    76    78   0.15000  1.0 3.0
   74    71    76    79   0.15000  1.0 3.0
   74    80    53    48   0.47050  1.0 1.0
   74    80    53    48   0.03900 -1.0 2.0
   74    80    53    48   0.20100  1.0 3.0
   74    80    53    54   0.15000  1.0 3.0
   74    80    53    56   0.34400  1.0 1.0
   74    80    53    56   0.09450 -1.0 2.0
   74    80    53    56   0.11100  1.0 3.0
   74    80    66    59  -0.25900  1.0 1.0
   74    80    66    59  -0.47000 -1.0 2.0
   74    80    66    59   0.11750  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    53   0.15000  1.0 3.0
   75    74    80    66   0.23400  1.0 3.0
   75    74   -82    71   0.36800  1.0 3.0
   80    74   -82    71   0.06250  1.0 1.0
   80    74   -82    71  -0.01100 -1.0 2.0
   80    74   -82    71   0.28050  1.0 3.0
   80    53   -56    59   0.09700  1.0 1.0
   80    53   -56    59   0.15600 -1.0 2.0
   80    53   -56    59  -0.50800  1.0 3.0
   80    53    56    61   0.09850  1.0 1.0
   80    53    56    61   0.15250 -1.0 2.0
   80    53    56    61  -0.50650  1.0 3.0
   81    80    53    48   0.15000  1.0 3.0
   81    80    53    54   0.15000  1.0 3.0
   81    80    53    56   0.15000  1.0 3.0
   81    80    66    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.34400  1.0 1.0
   53    48    50    55   0.09450 -1.0 2.0
   53    48    50    55   0.11100  1.0 3.0
   53    80   -66    59  -0.25900  1.0 1.0
   53    80   -66    59  -0.47000 -1.0 2.0
   53    80   -66    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    66  -0.15000  1.0 1.0
   53    56   -59    66   0.89550 -1.0 2.0
   53    56   -59    66  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -66    80   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    66    80   3.00000 -1.0 2.0
   66    80    53    48   0.62750  1.0 1.0
   66    80    53    48  -0.30950 -1.0 2.0
   66    80    53    48   0.27300  1.0 3.0
   66    80    53    54   0.23400  1.0 3.0
   66    80   -53    56   0.61850  1.0 1.0
   66    80   -53    56  -0.22750 -1.0 2.0
   66    80   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    66  -0.56150  1.0 1.0
   61    56    59    66   2.19150 -1.0 2.0
   82    71   -74    75   0.23400  1.0 3.0
   82    71   -74    80   0.02550  1.0 1.0
   82    71   -74    80  -0.02600 -1.0 2.0
   82    71   -74    80   1.20400  1.0 3.0
   82    71    76    77   0.23400  1.0 3.0
   82    71    76    78   0.23400  1.0 3.0
   82    71    76    79   0.23400  1.0 3.0
   82    74    80    81   0.23400  1.0 3.0
   82    74    80    53   0.02550  1.0 1.0
   82    74    80    53  -0.02600 -1.0 2.0
   82    74    80    53   1.20400  1.0 3.0
   82    74    80    66   1.11900  1.0 1.0
   82    74    80    66  -1.16350 -1.0 2.0
   82    74    80    66  -0.34150  1.0 3.0
   76    71    74    75   0.15000  1.0 3.0
   76    71    74    80   0.56750  1.0 1.0
   76    71    74    80  -0.07550 -1.0 2.0
   76    71    74    80   0.20000  1.0 3.0
   76    71   -74    82   0.02550  1.0 1.0
   76    71   -74    82  -0.02600 -1.0 2.0
   76    71   -74    82   1.20400  1.0 3.0
   76    71   -82    74   0.06250  1.0 1.0
   76    71   -82    74  -0.01100 -1.0 2.0
   76    71   -82    74   0.28050  1.0 3.0
   70    64    67    68   0.23400  1.0 3.0
   70    64    67    69   0.23400  1.0 3.0
   70    64    67    71  -0.26800  1.0 1.0
   70    64    67    71   0.69150 -1.0 2.0
   70    64    67    71  -0.48750  1.0 3.0
   72    55    57    58   7.00000 -1.0 2.0
   72    55   -57    64   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   50    72    55    57   1.10000 -1.0 2.0
   64    58    57    55   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    66    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
   55    70    72    73  10.50000 -1.0 2.0
END
