* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    247     456
    1     0 S   NP   _N1_     1    28.83135    97.05152   -21.91101
    2     1 S   H    _HN1     2     1.02956    69.81322    19.11928
    3     1 S   H    _H1_     3     1.02829    43.51926   166.45493
    4     1 S   H    _H2_     4     1.02784    99.13385   -87.15106
    5     1 S   CT   _CA1     5     1.50109   145.88814   115.99328
    6     5 S   HC   _HA1     6     1.09576   105.21065    93.80244
    7     5 S   CO3  _C1_     7     1.53690   112.43487   -26.39973
    8     7 S   O2Z  _O11     8     1.26351   115.00604   -43.86535
    9     7 S   O2Z  _O12     9     1.26249   114.97253   135.28102
   10     5 S   CT   _CB1    10     1.53066   107.40861  -148.29563
   11    10 S   HC   HB11    11     1.09830   109.20311   -50.92176
   12    10 S   HC   HB12    12     1.09816   110.51343    65.62481
   13    10 S   CT   _CG1    13     1.52992   112.67286  -171.99124
   14    13 S   HC   HG11    14     1.09606   110.55195   -67.18245
   15    13 S   HC   HG12    15     1.09670   109.85963    52.06017
   16    13 S   C    _CD1    16     1.51825   112.22058   172.35692
   17    16 S   O    _OE1    17     1.22727   123.28986     4.83262
   18    16 S   N    _N2_    18     1.38622   111.65149  -175.16074
   19    18 S   H    _HN2    19     1.01584   118.95458     1.02029
   20    18 S   CT1  _CA2    20     1.46241   123.39583   177.56635
   21    20 S   HC   _HA2    21     1.09738   109.39972    -4.20254
   22    20 S   C    _C2_    22     1.53458   108.35839  -119.59885
   23    22 S   O    _O2_    23     1.23035   122.36836  -147.55856
   24    20 S   CT   _CB2    32     1.53252   111.52628   117.94165
   25    24 S   HC   HB21    33     1.09600   110.04039    54.70990
   26    24 S   HC   HB22    34     1.09511   110.55952   173.96967
   27    22 S   N    _N3_    24     1.38362   113.52773    39.91217
   28    27 S   H    _HN3    25     1.01620   119.52462    -3.53175
   29    24 S   S    _SG2    35     1.82525   111.51880   -66.23372
   30    27 S   CT   _CA3    26     1.45286   123.16898   177.01587
   31    30 S   HC   HA31    27     1.09551   107.52924   -63.87689
   32    30 S   HC   HA32    28     1.09557   107.95188    52.54261
   33    29 S   CT   _C21    36     1.82549    98.74225   173.43266
   34    33 S   HC   _H3_    37     1.09550   108.30909    61.46436
   35    33 S   HC   _H4_    38     1.09537   107.86088   -54.58638
   36    30 S   CO3  _C3_    29     1.52946   114.10839   174.52242
   37    36 S   O2Z  _O31    30     1.26373   116.05872    -0.75718
   38    36 S   O2Z  _O32    31     1.26429   114.41262   179.30058
   39    33 S   CT   _C22    39     1.53754   113.65684  -176.49770
   40    39 S   HC   _H48    40     1.09853   107.85706   176.08884
   41    39 S   CO4  _C10    41     1.52417   112.50759    59.54529
   42    41 S   O    _O22    42     1.22362   124.72565  -127.93385
   43    39 S   CT   _C20    79     1.53043   112.43241   -66.64117
   44    43 S   HC   _H43    80     1.09490   112.16093    67.93951
   45    43 S   HC   _H44    81     1.09592   110.45480  -172.72908
   46    43 S   HC   _H45    82     1.09493   110.91934   -53.38561
   47    41 S   OS   _O26    43     1.36575   109.75639    53.48608
   48    47 S   CT   _C17    44     1.45001   118.07969  -179.56031
   49    48 S   HC   _H39    45     1.09701   108.84596   -30.01723
   50    48 S   CT   _C11    46     1.55401   104.81635    88.06651
   51    50 S   HC   _H31    47     1.09843   108.75838    67.00603
   52    50 S   HC   _H32    48     1.09785   109.62438   -46.50177
   53    48 S   CT   _C14    62     1.56838   109.41279  -149.05461
   54    53 S   HC   _H36    63     1.09853   108.74975   -87.40120
   55    50 S   CM   _C5_    49     1.47952   115.19657  -168.62366
   56    53 S   CM   _C6_    64     1.50386   118.69526    33.81479
   57    55 S   CM   _C4_    50     1.33070   129.23091  -107.95794
   58    57 S   HC   _H28    51     1.08100   124.81579    -2.04057
   59    56 S   CO4  _C8_    65     1.47680   110.17402   137.19072
   60    59 S   O    _O21    66     1.21791   127.15727   175.42577
   61    56 S   CM   _C9_    68     1.33786   130.88068   -48.56759
   62    61 S   HC   _H29    69     1.08288   122.13656     0.70388
   63    61 S   HC   _H30    70     1.08598   121.72045  -177.29282
   64    57 S   CT   _C13    52     1.47982   110.75392   168.73935
   65    64 S   HC   _H35    53     1.09442   111.25458   128.77444
   66    80 S   OS   _O24    67     1.43697   108.20568   112.07167
   67    64 S   CT   _C12    54     1.54487   112.61218  -106.24152
   68    67 S   HC   _H33    55     1.09661   109.03609   177.14268
   69    67 S   HC   _H34    56     1.09758   109.20416   -66.48237
   70    64 S   OS   _O23    76     1.43376   103.40407    12.48130
   71    67 S   C3T  _C18    57     1.51839   112.93912    56.15322
   72    55 S   CO4  _C7_    77     1.46829   124.41101    71.37729
   73    72 S   O    _O20    78     1.21853   125.58219     4.65413
   74    71 S   C3T  _C16    58     1.53140   116.49827   -74.26333
   75    74 S   HC   _H38    59     1.08167   121.56047    -6.96537
   76    71 S   CT   _C19    72     1.50392   117.20183    85.74387
   77    76 S   HC   _H40    73     1.09588   111.75676   156.65730
   78    76 S   HC   _H41    74     1.09483   110.79469    37.41414
   79    76 S   HC   _H42    75     1.09211   111.42232   -83.11593
   80    74 S   CT   _C15    60     1.49663   120.90581   147.39314
   81    80 S   HC   _H37    61     1.09551   111.09740    -4.13446
   82    71 S   O3T  _O25    71     1.43429   116.65686  -139.61379
  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
