* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    150    237     453
    1     0 S   NP   _N1_     1    28.89583    94.20518   -20.23300
    2     1 S   H    _HN1     2     1.02962    95.20451    35.78535
    3     1 S   H    _H1_     3     1.02831    29.39689   151.55790
    4     1 S   H    _H2_     4     1.02771    87.07990   -72.41926
    5     1 S   CT   _CA1     5     1.50185   139.51165   165.84639
    6     5 S   HC   _HA1     6     1.09573   105.15264    51.69208
    7     5 S   CO3  _C1_     7     1.53825   112.53173   -68.27221
    8     7 S   O2Z  _O11     8     1.26369   115.00871   -36.57281
    9     7 S   O2Z  _O12     9     1.26257   115.01366   142.58416
   10     5 S   CT   _CB1    10     1.53122   107.36081   169.61092
   11    10 S   HC   HB11    11     1.09813   109.27179   -49.23571
   12    10 S   HC   HB12    12     1.09821   110.37416    67.31768
   13    10 S   CT   _CG1    13     1.52974   112.78617  -170.40839
   14    13 S   HC   HG11    14     1.09493   110.28419   -64.19412
   15    13 S   HC   HG12    15     1.09644   110.11369    54.87766
   16    13 S   C    _CD1    16     1.51840   112.41337   174.92071
   17    16 S   O    _OE1    17     1.22719   123.23833   -11.03184
   18    16 S   N    _N2_    18     1.38613   111.63206   170.07263
   19    18 S   H    _HN2    19     1.01585   118.95518     0.26020
   20    18 S   CT1  _CA2    20     1.46289   123.53033  -179.85065
   21    20 S   HC   _HA2    21     1.09734   109.39917   -14.62574
   22    20 S   C    _C2_    22     1.53447   108.14521  -130.20456
   23    22 S   O    _O2_    23     1.23007   122.30470  -145.62727
   24    20 S   CT   _CB2    32     1.53479   111.23545   107.71344
   25    24 S   HC   HB21    33     1.09280   109.22287    53.83102
   26    24 S   HC   HB22    34     1.09511   110.62324   171.89441
   27    22 S   N    _N3_    24     1.38533   113.31880    41.75240
   28    27 S   H    _HN3    25     1.01532   118.89644    -0.60652
   29    24 S   S    _SG2    35     1.82972   111.30256   -69.51808
   30    27 S   CT   _CA3    26     1.45451   123.47697   175.15051
   31    30 S   HC   HA31    27     1.09521   109.26905    23.73222
   32    30 S   HC   HA32    28     1.09496   107.11220   140.73766
   33    29 S   CT   _C15    36     1.86637   102.57339   144.99112
   34    30 S   CO3  _C3_    29     1.52922   113.09638   -99.77102
   35    34 S   O2Z  _O31    30     1.26403   115.39789   -44.67335
   36    34 S   O2Z  _O32    31     1.26353   114.98837   136.26139
   37    33 S   CT   _C12    37     1.56875   111.68186   -67.83694
   38    37 S   HC   _H5_    38     1.09775   107.64321    59.96769
   39    33 S   CT   _C16    71     1.54336   107.72763    55.05036
   40    39 S   HC   _H17    72     1.09681   111.85069    48.20815
   41    39 S   HC   _H18    73     1.09483   112.18340   -73.41673
   42    39 S   HC   _H19    74     1.09590   111.25181   166.81060
   43    33 S   CT   _C17    75     1.54283   105.80010   169.57177
   44    43 S   HC   _H20    76     1.09742   111.44128   -57.59551
   45    43 S   HC   _H21    77     1.09410   112.87708    63.32062
   46    43 S   HC   _H22    78     1.09521   111.35983  -176.05459
   47    37 S   CO4  _C13    39     1.53929   115.88996   -56.65361
   48    47 S   O    _O33    40     1.22921   124.17285     1.89950
   49    37 S   CT   _C11    56     1.54961   113.42183   177.27337
   50    49 S   HC   _H13    57     1.09484   109.08286   -57.95390
   51    49 S   HC   _H14    58     1.09345   110.43334    59.07549
   52    47 S   CT   _C14    41     1.51729   115.91756   178.84326
   53    52 S   HC   _H15    42     1.09559   108.76271   178.98220
   54    52 S   HC   _H16    43     1.09671   107.57653   -65.40847
   55    52 S   CT   _C5_    44     1.54493   110.82581    56.88355
   56    55 S   CT   _C6_    45     1.54826   108.78547  -175.20891
   57    56 S   HC   _H9_    46     1.09818   109.56557    47.62231
   58    56 S   HC   _H10    47     1.09753   110.23470   -68.50242
   59    55 S   CT   _C4_    67     1.54730   107.27254    67.38680
   60    59 S   HC   _H6_    68     1.08942   113.14341   169.29715
   61    59 S   HC   _H7_    69     1.09739   110.35449    51.11935
   62    59 S   HC   _H8_    70     1.09340   112.80668   -68.13393
   63    56 S   CT   _C7_    48     1.53337   113.26789   168.95140
   64    63 S   HC   _H11    49     1.09451   110.49128    67.44928
   65    63 S   HC   _H12    50     1.09706   107.91728  -176.37555
   66    63 S   CT   _C8_    51     1.52989   111.85497   -55.87773
   67    66 S   HC   _H3_    52     1.09631   110.23703   178.87169
   68    66 S   CT   _C9_    53     1.54894   112.66060    55.40447
   69    66 S   OH   _O35    65     1.43306   108.23117   -65.33899
   70    69 S   HO   _H27    66     0.97241   107.61875   -58.40884
   71    55 S   CT   _C10    54     1.56134   107.31727   -56.80762
   72    71 S   HC   _H4_    55     1.10336   105.95808   -53.49338
   73    68 S   CT   _C18    59     1.53307   111.04033    77.26683
   74    73 S   HC   _H23    60     1.09741   110.12705    62.77992
   75    73 S   HC   _H24    61     1.08839   113.81897   -57.11528
   76    73 S   HC   _H25    62     1.09471   111.50830   179.44609
   77    68 S   OH   _O34    63     1.44240   108.00388  -168.21610
   78    77 S   HO   _H26    64     0.97237   107.97049   -47.76204
  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  13   5   4   3
  17   2   1   1  21   9   9   3   2   1   5   2   1   1  11   5
  12   5   4  14   5   4  16  15   7   6   7   3   2   1  10   5
   4  12   6  10   4   1   7   2   5   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    49    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    52    71    49    50    51    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    52    53    54    55    68    71    72    49    50    51    39    40    41    42    43    44    45    46  
   47    48    52    71    49    50    51    39    43  
   40    41    42    43    44    45    46    47    49  
   41    42    43  
   42    43  
   43  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    52    53    54    55    56    71    49    50    51    59  
   52    53    54    55    49  
   50    51    73    77    59    52    55    56    66    68    71    72  
   51    55    68    71    72  
   55    68    71    72  
   53    54    55    56    57    58    63    68    71    72    59    60    61    62  
   54    55    56    71    59  
   55    56    71    59  
   56    57    58    63    64    65    66    68    71    72    73    77    59    60    61    62  
   57    58    63    64    65    66    67    68    71    72    69    59    60    61    62  
   58    63    64    65    66    71    59  
   63    64    65    66    71    59  
   60    61    62    63    68    71    72  
   61    62    71  
   62    71  
   71  
   64    65    66    67    68    71    73    77    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    71    72    73    74    75    76    77    78    69    70  
   68    71    73    77    69    70  
   71    72    73    74    75    76    77    78    69    70  
   70    71    73    77  
    0  
   72    73    74    75    76    77    78  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    49   268.000  1.529
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   268.000  1.529
   55    71   268.000  1.529
   55    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    69   320.000  1.410
   68    71   268.000  1.529
   68    73   268.000  1.529
   68    77   320.000  1.410
   71    72   340.000  1.090
   71    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   69    70   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    49    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    52    70.00000  116.00000
   37    49    71    58.35000  112.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    63.00000  111.10000
   52    47    48    80.00000  120.40000
   52    55    56    58.35000  112.70000
   52    55    71    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    56    57    37.50000  110.70000
   55    56    58    37.50000  110.70000
   55    56    63    58.35000  112.70000
   55    71    68    58.35000  112.70000
   55    71    72    37.50000  110.70000
   55    71    49    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    69    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    71    58.35000  112.70000
   66    68    73    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    69    70    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    49    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    55.00000  108.50000
   71    55    56    58.35000  112.70000
   71    49    50    37.50000  110.70000
   71    49    51    37.50000  110.70000
   49    37    38    37.50000  110.70000
   49    37    47    63.00000  111.10000
   49    71    72    37.50000  110.70000
   51    49    50    33.00000  107.80000
   73    68    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    71    50.00000  109.50000
   77    68    73    50.00000  109.50000
   69    66    67    35.00000  109.50000
   69    66    68    50.00000  109.50000
   59    55    56    58.35000  112.70000
   59    55    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    49   0.44750  1.0 1.0
   29    33    37    49  -0.17800 -1.0 2.0
   29    33    37    49   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    52   0.60050  1.0 1.0
   33    37    47    52   0.05600 -1.0 2.0
   33    37    47    52   0.26150  1.0 3.0
   33    37    49    71   0.56750  1.0 1.0
   33    37    49    71  -0.07550 -1.0 2.0
   33    37    49    71   0.20000  1.0 3.0
   33    37    49    50   0.15000  1.0 3.0
   33    37    49    51   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    52    53   0.00000  1.0 1.0
   37    47    52    54   0.00000  1.0 1.0
   37    47    52    55   0.60050  1.0 1.0
   37    47    52    55   0.05600 -1.0 2.0
   37    47    52    55   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    52   0.00000  1.0 1.0
   38    37    49    71   0.15000  1.0 3.0
   38    37    49    50   0.15000  1.0 3.0
   38    37    49    51   0.15000  1.0 3.0
   47    37    49    71  -0.95700  1.0 1.0
   47    37    49    71  -0.18200 -1.0 2.0
   47    37    49    71   0.29450  1.0 3.0
   47    37    49    50  -0.11250  1.0 3.0
   47    37    49    51  -0.11250  1.0 3.0
   47    52    55    56  -0.95700  1.0 1.0
   47    52    55    56  -0.18200 -1.0 2.0
   47    52    55    56   0.29450  1.0 3.0
   47    52   -55    71  -0.95700  1.0 1.0
   47    52   -55    71  -0.18200 -1.0 2.0
   47    52   -55    71   0.29450  1.0 3.0
   47    52    55    59  -0.95700  1.0 1.0
   47    52    55    59  -0.18200 -1.0 2.0
   47    52    55    59   0.29450  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.30150 -1.0 2.0
   52    55    56    57   0.15000  1.0 3.0
   52    55    56    58   0.15000  1.0 3.0
   52    55    56    63   0.56750  1.0 1.0
   52    55    56    63  -0.07550 -1.0 2.0
   52    55    56    63   0.20000  1.0 3.0
   52    55    71    68   0.56750  1.0 1.0
   52    55    71    68  -0.07550 -1.0 2.0
   52    55    71    68   0.20000  1.0 3.0
   52    55    71    72   0.15000  1.0 3.0
   52    55    71    49   0.56750  1.0 1.0
   52    55    71    49  -0.07550 -1.0 2.0
   52    55    71    49   0.20000  1.0 3.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.15000  1.0 3.0
   52    55    59    62   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    71   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    71   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    56    63    64   0.15000  1.0 3.0
   55    56    63    65   0.15000  1.0 3.0
   55    56    63    66   0.56750  1.0 1.0
   55    56    63    66  -0.07550 -1.0 2.0
   55    56    63    66   0.20000  1.0 3.0
   55    71   -49    37   0.56750  1.0 1.0
   55    71   -49    37  -0.07550 -1.0 2.0
   55    71   -49    37   0.20000  1.0 3.0
   55    71    49    50   0.15000  1.0 3.0
   55    71    49    51   0.15000  1.0 3.0
   56    55    71    68   0.56750  1.0 1.0
   56    55    71    68  -0.07550 -1.0 2.0
   56    55    71    68   0.20000  1.0 3.0
   56    55    71    72   0.15000  1.0 3.0
   56    55    71    49   0.56750  1.0 1.0
   56    55    71    49  -0.07550 -1.0 2.0
   56    55    71    49   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    63    66    67   0.15000  1.0 3.0
   56    63   -66    68   0.56750  1.0 1.0
   56    63   -66    68  -0.07550 -1.0 2.0
   56    63   -66    68   0.20000  1.0 3.0
   56    63    66    69   0.86500  1.0 1.0
   56    63    66    69  -0.17500 -1.0 2.0
   56    63    66    69   0.20800  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.15000  1.0 3.0
   63    66    68    71   0.56750  1.0 1.0
   63    66    68    71  -0.07550 -1.0 2.0
   63    66    68    71   0.20000  1.0 3.0
   63    66    68    73   0.56750  1.0 1.0
   63    66    68    73  -0.07550 -1.0 2.0
   63    66    68    73   0.20000  1.0 3.0
   63    66    68    77   0.86500  1.0 1.0
   63    66    68    77  -0.17500 -1.0 2.0
   63    66    68    77   0.20800  1.0 3.0
   63    66    69    70  -0.11600  1.0 1.0
   63    66    69    70  -0.09450 -1.0 2.0
   63    66    69    70   0.21250  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.23400  1.0 3.0
   66    68   -71    55   0.56750  1.0 1.0
   66    68   -71    55  -0.07550 -1.0 2.0
   66    68   -71    55   0.20000  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    49   0.56750  1.0 1.0
   66    68    71    49  -0.07550 -1.0 2.0
   66    68    71    49   0.20000  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    68    77    78  -0.11600  1.0 1.0
   66    68    77    78  -0.09450 -1.0 2.0
   66    68    77    78   0.21250  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    69    70   0.19450  1.0 3.0
   68    66    69    70  -0.11600  1.0 1.0
   68    66    69    70  -0.09450 -1.0 2.0
   68    66    69    70   0.21250  1.0 3.0
   68    71    49    37   0.56750  1.0 1.0
   68    71    49    37  -0.07550 -1.0 2.0
   68    71    49    37   0.20000  1.0 3.0
   68    71    49    50   0.15000  1.0 3.0
   68    71    49    51   0.15000  1.0 3.0
   71    55    56    57   0.15000  1.0 3.0
   71    55    56    58   0.15000  1.0 3.0
   71    55   -56    63   0.56750  1.0 1.0
   71    55   -56    63  -0.07550 -1.0 2.0
   71    55   -56    63   0.20000  1.0 3.0
   71    55    59    60   0.15000  1.0 3.0
   71    55    59    61   0.15000  1.0 3.0
   71    55    59    62   0.15000  1.0 3.0
   71    68    73    74   0.15000  1.0 3.0
   71    68    73    75   0.15000  1.0 3.0
   71    68    73    76   0.15000  1.0 3.0
   71    68    77    78  -0.11600  1.0 1.0
   71    68    77    78  -0.09450 -1.0 2.0
   71    68    77    78   0.21250  1.0 3.0
   72    71    49    37   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   72    71    49    51   0.15000  1.0 3.0
   49    37    47    48   0.30150 -1.0 2.0
   49    37   -47    52   0.60050  1.0 1.0
   49    37   -47    52   0.05600 -1.0 2.0
   49    37   -47    52   0.26150  1.0 3.0
   73    68    71    55   0.56750  1.0 1.0
   73    68    71    55  -0.07550 -1.0 2.0
   73    68    71    55   0.20000  1.0 3.0
   73    68    71    72   0.15000  1.0 3.0
   73    68    71    49   0.56750  1.0 1.0
   73    68    71    49  -0.07550 -1.0 2.0
   73    68    71    49   0.20000  1.0 3.0
   73    68    77    78  -0.11600  1.0 1.0
   73    68    77    78  -0.09450 -1.0 2.0
   73    68    77    78   0.21250  1.0 3.0
   77    68    71    55   0.86500  1.0 1.0
   77    68    71    55  -0.17500 -1.0 2.0
   77    68    71    55   0.20800  1.0 3.0
   77    68    71    72   0.23400  1.0 3.0
   77    68    71    49   0.86500  1.0 1.0
   77    68    71    49  -0.17500 -1.0 2.0
   77    68    71    49   0.20800  1.0 3.0
   77    68    73    74   0.23400  1.0 3.0
   77    68    73    75   0.23400  1.0 3.0
   77    68    73    76   0.23400  1.0 3.0
   69    66    68    71   0.86500  1.0 1.0
   69    66    68    71  -0.17500 -1.0 2.0
   69    66    68    71   0.20800  1.0 3.0
   69    66    68    73   0.86500  1.0 1.0
   69    66    68    73  -0.17500 -1.0 2.0
   69    66    68    73   0.20800  1.0 3.0
   69    66    68    77   3.75450  1.0 1.0
   59    55    56    57   0.15000  1.0 3.0
   59    55    56    58   0.15000  1.0 3.0
   59    55    56    63   0.56750  1.0 1.0
   59    55    56    63  -0.07550 -1.0 2.0
   59    55    56    63   0.20000  1.0 3.0
   59    55    71    68   0.56750  1.0 1.0
   59    55    71    68  -0.07550 -1.0 2.0
   59    55    71    68   0.20000  1.0 3.0
   59    55    71    72   0.15000  1.0 3.0
   59    55    71    49   0.56750  1.0 1.0
   59    55    71    49  -0.07550 -1.0 2.0
   59    55    71    49   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    49   0.56750  1.0 1.0
   39    33    37    49  -0.07550 -1.0 2.0
   39    33    37    49   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    49   0.56750  1.0 1.0
   43    33    37    49  -0.07550 -1.0 2.0
   43    33    37    49   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    52    47    48  10.50000 -1.0 2.0
END
