* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    222     432
    1     0 S   NP   _N1_     1    28.64460    94.89250   -21.49354
    2     1 S   H    _HN1     2     1.02774    90.79999   -73.86809
    3     1 S   H    _H1_     3     1.02962    89.23162    34.46502
    4     1 S   H    _H2_     4     1.02836    30.81623   160.89970
    5     1 S   CT   _CA1     5     1.50111   141.51362   157.35090
    6     5 S   HC   _HA1     6     1.09568   105.27468    61.08383
    7     5 S   CO3  _C1_     7     1.53793   112.35628   -59.23695
    8     7 S   O2Z  _O11     8     1.26350   114.96374   -43.41000
    9     7 S   O2Z  _O12     9     1.26230   114.94177   135.84358
   10     5 S   CT   _CB1    10     1.53088   107.44056   179.10540
   11    10 S   HC   HB11    11     1.09817   109.39756   -50.03010
   12    10 S   HC   HB12    12     1.09828   110.40111    66.54589
   13    10 S   CT   _CG1    13     1.52995   112.64884  -171.15409
   14    13 S   HC   HG11    14     1.09506   110.43758   -60.80756
   15    13 S   HC   HG12    15     1.09638   110.10575    58.24458
   16    13 S   C    _CD1    16     1.51790   112.16667   178.25325
   17    16 S   O    _OE1    17     1.22732   123.12664   -12.96963
   18    16 S   N    _N2_    18     1.38586   111.73824   168.15853
   19    18 S   H    _HN2    19     1.01578   119.08192     0.11535
   20    18 S   CT1  _CA2    20     1.46168   123.38529   179.03958
   21    20 S   HC   _HA2    21     1.09737   109.38424    -9.62568
   22    20 S   C    _C2_    22     1.53494   108.18463  -125.09657
   23    22 S   O    _O2_    23     1.23014   122.30056  -145.44204
   24    20 S   CT   _CB2    32     1.53341   111.64651   112.52319
   25    24 S   HC   HB21    33     1.09522   110.11733    55.19762
   26    24 S   HC   HB22    34     1.09529   110.03348   174.04389
   27    22 S   N    _N3_    24     1.38534   113.38051    41.90166
   28    27 S   H    _HN3    25     1.01517   118.90784    -0.61166
   29    24 S   S    _SG2    35     1.82863   111.86660   -66.53016
   30    27 S   CT   _CA3    26     1.45456   123.50564   175.14135
   31    30 S   HC   HA31    27     1.09519   109.30044    23.15885
   32    30 S   HC   HA32    28     1.09497   107.10332   140.17506
   33    29 S   CT   _C12    36     1.84852    99.61206   175.33326
   34    33 S   HC   _H6_    37     1.10246   100.91597    32.79706
   35    30 S   CO3  _C3_    29     1.52923   113.08064  -100.36381
   36    35 S   O2Z  _O31    30     1.26406   115.39427   -44.51273
   37    35 S   O2Z  _O32    31     1.26354   114.98836   136.41451
   38    33 S   CT   _C13    38     1.57014   114.29410   -77.93695
   39    38 S   HC   _H13    39     1.09557   110.38389  -148.57626
   40    38 S   HC   _H14    40     1.10094   105.86601   100.29918
   41    33 S   CT   _C11    60     1.59943   114.54864   143.82932
   42    41 S   OM   _O33    61     1.33214   106.15442  -153.42151
   43    38 S   CT   _C14    41     1.55036   121.43033   -18.91922
   44    43 S   HC   _H15    42     1.09856   108.29002   175.33595
   45    43 S   HC   _H16    43     1.09643   108.74446    62.08409
   46    41 S   CT   _C15    62     1.55020   112.42628   -38.78357
   47    46 S   HC   _H17    63     1.09863   111.88401   -52.12601
   48    46 S   HC   _H18    64     1.09916   111.93857  -172.14909
   49    46 S   HC   _H19    65     1.09476   112.10592    68.44753
   50    43 S   CM   _C5_    44     1.51334   116.77109   -62.94752
   51    50 S   CM   _C6_    45     1.34581   120.20465   -48.30379
   52    51 S   HC   _H10    46     1.08790   118.28682    -8.55001
   53    50 S   CT   _C4_    76     1.50463   115.73658   130.09871
   54    53 S   HC   _H7_    77     1.09181   111.31458   -75.96086
   55    53 S   HC   _H8_    78     1.09264   112.92118   162.26976
   56    53 S   HC   _H9_    79     1.09546   109.89361    44.24285
   57    51 S   CT   _C7_    47     1.50500   126.44242   162.08414
   58    57 S   HC   _H3_    48     1.09474   112.18648    13.75439
   59    57 S   CT   _C8_    49     1.55491   110.39885  -107.83195
   60    59 S   HC   _H4_    50     1.09975   109.74830   -84.33637
   61    57 S   OS   _O36    69     1.44678   108.34347   134.66446
   62    59 S   CM   _C17    51     1.49627   114.90328   155.42236
   63    61 S   CO4  _C19    70     1.36269   117.47386   -87.20412
   64    63 S   O    _O37    71     1.22275   126.56280    -0.37009
   65    62 S   CO4  _C16    52     1.47607   109.06532  -144.02195
   66    65 S   O    _O35    53     1.21788   126.93058  -170.41509
   67    62 S   CM   _C18    66     1.33656   129.96766    34.95898
   68    67 S   HC   _H20    67     1.08417   121.37486     0.93753
   69    67 S   HC   _H21    68     1.08541   121.65060  -179.36419
   70    63 S   CT   _C20    72     1.49842   109.41877   179.80617
   71    70 S   HC   _H22    73     1.09291   109.83814   -60.56815
   72    70 S   HC   _H23    74     1.09379   109.36545  -179.58788
   73    70 S   HC   _H24    75     1.09291   109.81365    61.34832
   74    65 S   OS   _O34    54     1.35984   107.31120     8.49135
   75    59 S   CT   _C9_    55     1.54100   114.80851    40.02190
   76    75 S   HC   _H5_    56     1.09237   111.40937    32.98191
   77    75 S   CT   _C10    57     1.54333   112.01360   -93.37075
   78    77 S   HC   _H11    58     1.10353   106.49267   -80.32143
   79    77 S   HC   _H12    59     1.09434   110.18335    31.92900
  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  10   5   4   3
  18   8   2   1   1  12   6   5  13   8  10   4   3   7   3   2
   1  10  13   5   4   2   1   1  14   6  15   8   8   9   5   4
   8   3   4   1   1   3   2   1   1   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    77    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    75    77    78    79    41    42    46    47    48    49  
   38    39    40    43    77    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    77    41    42    46    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    59    74    75    76    77    78    79  
   46    47    48    49    75    77    78    79  
   44    45    50    51    52    57    53    54    55    56  
   45    50    51    53  
   50    51    53  
   47    48    49    75    77    78    79  
   48    49    77  
   49    77  
   77  
   51    52    57    58    59    61    53    54    55    56  
   52    57    58    59    60    62    75    61    63    53    54    55    56  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    62    65    74    75    76    77    67    61    63    64    70  
   59    60    62    75    61    63  
   60    62    65    66    74    75    76    77    78    79    67    68    69    61    63  
   62    65    74    75    76    77    67    61  
   63    64    70    71    72    73    62    75  
   65    66    74    75    76    77    67    68    69  
   64    70    71    72    73  
   70    71    72    73  
   66    74    75    76    77    67    68    69  
   74    75    67  
   68    69    74    75  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    62   317.000  1.510
   59    75   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    77    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    70.00000  124.00000
   43    50    53    65.00000  117.92700
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    70.00000  112.02700
   51    57    61    85.00000  110.90400
   57    51    52    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    62    70.00000  112.02700
   57    59    75    58.35000  112.70000
   57    61    63    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    65    65.00000  116.34900
   59    62    67    70.00000  124.00000
   59    75    74    50.00000  109.50000
   59    75    76    37.50000  110.70000
   59    75    77    58.35000  112.70000
   62    59    60    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   65    74    75    83.00000  116.90000
   74    65    66    83.00000  123.40000
   74    75    76    35.00000  109.50000
   74    75    77    50.00000  109.50000
   75    59    60    37.50000  110.70000
   75    59    62    70.00000  112.02700
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    41    58.35000  112.70000
   77    75    76    37.50000  110.70000
   77    41    42    50.00000  109.50000
   77    41    46    58.35000  112.70000
   79    77    78    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    77    78    37.50000  110.70000
   41    77    79    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    70    81.00000  111.40000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   70    63    64    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    77   0.44750  1.0 1.0
   29    33    41    77  -0.17800 -1.0 2.0
   29    33    41    77   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.34400  1.0 1.0
   33    38    43    50   0.09450 -1.0 2.0
   33    38    43    50   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    77   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    77   0.56750  1.0 1.0
   38    33    41    77  -0.07550 -1.0 2.0
   38    33    41    77   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.09850  1.0 1.0
   38    43    50    51   0.15250 -1.0 2.0
   38    43    50    51  -0.50650  1.0 3.0
   38    43    50    53   0.46850  1.0 1.0
   38    43    50    53   0.08550 -1.0 2.0
   38    43    50    53   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   7.00000 -1.0 2.0
   43    50    51    57   7.00000 -1.0 2.0
   43    50    53    54   0.34800  1.0 3.0
   43    50    53    55   0.34800  1.0 3.0
   43    50    53    56   0.34800  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    53   0.34800  1.0 3.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.09850  1.0 1.0
   50    51    57    59   0.15250 -1.0 2.0
   50    51    57    59  -0.50650  1.0 3.0
   50    51    57    61   0.39000  1.0 1.0
   50    51    57    61  -0.05800 -1.0 2.0
   50    51    57    61  -0.55150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    62   0.31000  1.0 1.0
   51    57    59    62   0.14700 -1.0 2.0
   51    57    59    62   0.07550  1.0 3.0
   51    57    59    75   0.34400  1.0 1.0
   51    57    59    75   0.09450 -1.0 2.0
   51    57    59    75   0.11100  1.0 3.0
   51    57    61    63  -0.82050  1.0 1.0
   51    57    61    63   0.00600 -1.0 2.0
   51    57    61    63   0.04400  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    57    61   0.00000  1.0 1.0
   57    59    62    65   0.09700  1.0 1.0
   57    59    62    65   0.15600 -1.0 2.0
   57    59    62    65  -0.50800  1.0 3.0
   57    59    62    67   0.09850  1.0 1.0
   57    59    62    67   0.15250 -1.0 2.0
   57    59    62    67  -0.50650  1.0 3.0
   57    59    75    74   0.62750  1.0 1.0
   57    59    75    74  -0.30950 -1.0 2.0
   57    59    75    74   0.27300  1.0 3.0
   57    59    75    76   0.15000  1.0 3.0
   57    59    75    77   0.56750  1.0 1.0
   57    59    75    77  -0.07550 -1.0 2.0
   57    59    75    77   0.20000  1.0 3.0
   57    61    63    64   3.00000 -1.0 2.0
   57    61    63    70   1.63150  1.0 1.0
   57    61    63    70   2.92000 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    75   0.15000  1.0 3.0
   58    57    61    63   0.08050  1.0 3.0
   59    57    61    63  -0.25900  1.0 1.0
   59    57    61    63  -0.47000 -1.0 2.0
   59    57    61    63   0.11750  1.0 3.0
   59    62    65    66  -0.64400  1.0 1.0
   59    62    65    66   0.26850 -1.0 2.0
   59    62   -65    74  -0.15000  1.0 1.0
   59    62   -65    74   0.89550 -1.0 2.0
   59    62   -65    74  -0.06900  1.0 3.0
   59    62    67    68   7.00000 -1.0 2.0
   59    62    67    69   7.00000 -1.0 2.0
   59    75    77    78   0.15000  1.0 3.0
   59    75    77    79   0.15000  1.0 3.0
   59    75    77    41   0.56750  1.0 1.0
   59    75    77    41  -0.07550 -1.0 2.0
   59    75    77    41   0.20000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    67   0.00000  1.0 1.0
   60    59    75    74   0.23400  1.0 3.0
   60    59    75    76   0.15000  1.0 3.0
   60    59    75    77   0.15000  1.0 3.0
   62    59   -75    74   0.61850  1.0 1.0
   62    59   -75    74  -0.22750 -1.0 2.0
   62    59   -75    74   0.15300  1.0 3.0
   62    59    75    76   0.15000  1.0 3.0
   62    59    75    77   0.34400  1.0 1.0
   62    59    75    77   0.09450 -1.0 2.0
   62    59    75    77   0.11100  1.0 3.0
   62    65   -74    75   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   65    74   -75    59  -0.25900  1.0 1.0
   65    74   -75    59  -0.47000 -1.0 2.0
   65    74   -75    59   0.11750  1.0 3.0
   65    74    75    76   0.08050  1.0 3.0
   65    74    75    77  -0.25900  1.0 1.0
   65    74    75    77  -0.47000 -1.0 2.0
   65    74    75    77   0.11750  1.0 3.0
   66    65    74    75   3.00000 -1.0 2.0
   74    75    77    78   0.23400  1.0 3.0
   74    75    77    79   0.23400  1.0 3.0
   74    75    77    41   0.62750  1.0 1.0
   74    75    77    41  -0.30950 -1.0 2.0
   74    75    77    41   0.27300  1.0 3.0
   75    59   -62    65   0.09700  1.0 1.0
   75    59   -62    65   0.15600 -1.0 2.0
   75    59   -62    65  -0.50800  1.0 3.0
   75    59    62    67   0.09850  1.0 1.0
   75    59    62    67   0.15250 -1.0 2.0
   75    59    62    67  -0.50650  1.0 3.0
   75    77    41    33   0.56750  1.0 1.0
   75    77    41    33  -0.07550 -1.0 2.0
   75    77    41    33   0.20000  1.0 3.0
   75    77    41    42   0.62750  1.0 1.0
   75    77    41    42  -0.30950 -1.0 2.0
   75    77    41    42   0.27300  1.0 3.0
   75    77    41    46   0.56750  1.0 1.0
   75    77    41    46  -0.07550 -1.0 2.0
   75    77    41    46   0.20000  1.0 3.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    41   0.15000  1.0 3.0
   77    41    46    47   0.15000  1.0 3.0
   77    41    46    48   0.15000  1.0 3.0
   77    41    46    49   0.15000  1.0 3.0
   78    77    41    33   0.15000  1.0 3.0
   78    77    41    42   0.23400  1.0 3.0
   78    77    41    46   0.15000  1.0 3.0
   79    77    41    33   0.15000  1.0 3.0
   79    77    41    42   0.23400  1.0 3.0
   79    77    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.61850  1.0 1.0
   61    57    59    62  -0.22750 -1.0 2.0
   61    57    59    62   0.15300  1.0 3.0
   61    57    59    75   0.62750  1.0 1.0
   61    57    59    75  -0.30950 -1.0 2.0
   61    57    59    75   0.27300  1.0 3.0
   61    63    70    71   0.00000  1.0 1.0
   61    63    70    72   0.00000  1.0 1.0
   61    63    70    73   0.00000  1.0 1.0
   64    63    70    71   0.00000  1.0 1.0
   64    63    70    72   0.00000  1.0 1.0
   64    63    70    73   0.00000  1.0 1.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   59    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   61    70    63    64  10.50000 -1.0 2.0
END
