* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.55349    94.75087   -21.40933
    2     1 S   H    _HN1     2     1.02960    88.06090    23.79111
    3     1 S   H    _H1_     3     1.02835    32.49314   150.62651
    4     1 S   H    _H2_     4     1.02778    90.03570   -84.53701
    5     1 S   CT   _CA1     5     1.50121   143.19121   146.23352
    6     5 S   HC   _HA1     6     1.09576   105.23151    61.69685
    7     5 S   CO3  _C1_     7     1.53790   112.36633   -58.49809
    8     7 S   O2Z  _O11     8     1.26359   115.01083   -44.43667
    9     7 S   O2Z  _O12     9     1.26240   114.91857   134.71118
   10     5 S   CT   _CB1    10     1.53092   107.41598   179.57433
   11    10 S   HC   HB11    11     1.09824   109.32174   -50.97011
   12    10 S   HC   HB12    12     1.09819   110.42126    65.57228
   13    10 S   CT   _CG1    13     1.53003   112.67823  -172.08508
   14    13 S   HC   HG11    14     1.09600   110.41991   -63.70243
   15    13 S   HC   HG12    15     1.09651   110.00690    55.51380
   16    13 S   C    _CD1    16     1.51820   112.31371   175.84023
   17    16 S   O    _OE1    17     1.22720   123.26645    -3.04652
   18    16 S   N    _N2_    18     1.38609   111.61754   177.23565
   19    18 S   H    _HN2    19     1.01586   119.04218     1.22717
   20    18 S   CT1  _CA2    20     1.46191   123.41912  -179.61336
   21    20 S   HC   _HA2    21     1.09717   109.48073    -6.55511
   22    20 S   C    _C2_    22     1.53514   108.48084  -122.41560
   23    22 S   O    _O2_    23     1.23040   122.18364  -146.48388
   24    20 S   CT   _CB2    32     1.53392   111.42949   115.57913
   25    24 S   HC   HB21    33     1.09285   108.98476    55.96336
   26    24 S   HC   HB22    34     1.09473   110.03765   174.99786
   27    22 S   N    _N3_    24     1.38477   113.49916    40.84453
   28    27 S   H    _HN3    25     1.01510   118.92240    -0.64011
   29    24 S   S    _SG2    35     1.82601   111.95135   -64.61167
   30    27 S   CT   _CA3    26     1.45447   123.51224   175.32031
   31    30 S   HC   HA31    27     1.09518   109.34232    22.50452
   32    30 S   HC   HA32    28     1.09499   107.09961   139.51228
   33    29 S   CT   _C22    36     1.86369   100.76402  -172.79369
   34    33 S   HC   _H3_    37     1.08565   103.33115    41.27536
   35    30 S   CO3  _C3_    29     1.52908   113.02263  -101.05237
   36    35 S   O2Z  _O31    30     1.26409   115.36086   -45.58408
   37    35 S   O2Z  _O32    31     1.26349   115.01058   135.33126
   38    33 S   CA   _C21    38     1.53641   110.13649   -80.98537
   39    33 S   CT   _C23    70     1.54418   112.24989   154.97152
   40    39 S   HC   _H4_    71     1.09888   107.66544  -172.05839
   41    38 S   CA   _C16    39     1.45267   121.84456    82.78485
   42    39 S   OH   _O35    72     1.42727   111.80275   -56.22713
   43    42 S   HO   _H19    73     0.97205   107.87045   -50.21568
   44    41 S   CA   _C15    40     1.44087   125.67187    31.48052
   45    41 S   CA   _C17    60     1.41793   117.20212  -148.36889
   46    44 S   CA   _C14    41     1.41943   122.13229    21.13129
   47    46 S   HA   _H14    42     1.08801   120.49750     7.47961
   48    45 S   CA   _C18    61     1.41536   117.56691   -15.95618
   49    48 S   HA   _H15    62     1.08662   121.53864  -174.46877
   50    46 S   CA   _C13    43     1.39310   123.52755  -175.79262
   51    50 S   HA   _H13    44     1.08549   120.30484   178.83182
   52    48 S   CA   _C19    63     1.38922   122.95312     2.98839
   53    52 S   HA   _H16    64     1.08728   119.15305  -176.01420
   54    50 S   CA   _C12    45     1.37622   119.12402    -1.86509
   55    54 S   HA   _H12    46     1.08555   120.56663   179.59652
   56    38 S   CA   _C20    65     1.41437   116.45333   -86.22790
   57    54 S   CA   _C11    47     1.39264   119.08416    -3.15970
   58    57 S   HA   _H11    48     1.08646   115.49547  -176.38312
   59    56 S   CT   _C25    66     1.51392   123.48135   -25.03042
   60    59 S   HC   _H6_    67     1.09739   108.99488   148.09091
   61    44 S   CA   _C10    49     1.41989   120.91835  -162.88706
   62    59 S   CT   _C24    68     1.53010   115.55232    24.23785
   63    62 S   HC   _H5_    69     1.09712   110.69543  -157.00387
   64    59 S   OH   _O33    76     1.43070   106.02217   -96.15819
   65    64 S   HO   _H17    77     0.97248   107.55689  -171.13572
   66    61 S   CA   _C8_    50     1.42853   119.59212    -6.78111
   67    62 S   OH   _O34    74     1.42582   109.68942    86.64417
   68    67 S   HO   _H18    75     0.97214   107.95174    62.36110
   69    66 S   CA   _C9_    51     1.42397   122.68097   177.99162
   70    69 S   HA   _H10    52     1.08658   121.41713    -3.10135
   71    69 S   CA   _C4_    53     1.39290   123.06682   176.76947
   72    71 S   HA   _H7_    54     1.08564   120.26900  -179.91153
   73    71 S   CA   _C5_    55     1.37680   119.21471    -0.08847
   74    73 S   HA   _H8_    56     1.08570   120.49562   179.91607
   75    73 S   CA   _C6_    57     1.39372   119.27225     0.57743
   76    75 S   HA   _H9_    58     1.08678   115.34992   178.30176
   77    66 S   CA   _C7_    59     1.41843   119.43765    -4.48026
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  17  12   6  15   5   1  14  13   8   4   8
   4   6   3   7   2   5   3   7   5   2   7   5   6   5   3   2
   1   8   1   1   7   4   6   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    45    52    56    59    62    63    39    40    42    43    67  
   38    41    56    62    39    40    42  
   36    37  
   37  
    0  
   41    44    46    61    77    45    48    52    53    56    59    60    62    39    40    42    64  
   40    42    43    67    68    64    41    56    59    60    62    63  
   42    43    67    59    62    63  
   44    46    47    50    57    61    66    75    77    45    48    49    52    56    59  
   43    67    59    62    63  
   62  
   46    47    50    51    54    57    58    61    66    69    77    45    48    56  
   48    49    52    53    56    46    61    66    69    73    75    76    77  
   47    50    51    54    55    57    61    66  
   50    51    54    61  
   49    52    53    56    59    66    75    77  
   52    53    56    77  
   51    54    55    57    58    61  
   54    55    57  
   53    56    59    60    62    64    77  
   56    59  
   55    57    58    61    66  
   57    58    61  
   59    60    62    63    67    64    65  
   58    61    66    69    77  
   61    66  
   60    62    63    67    68    64    65  
   62    63    67    64    65  
   66    69    70    71    75    77  
   63    67    68    64    65  
   67    68    64  
   65    67  
    0  
   69    70    71    72    73    75    76    77  
   68  
    0  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    44   469.000  1.400
   41    45   469.000  1.400
   44    46   469.000  1.400
   44    61   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    66   469.000  1.400
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    45   469.000  1.400
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    59   317.000  1.510
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   320.000  1.410
   62    63   340.000  1.090
   62    39   268.000  1.529
   62    67   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   67    68   553.000  0.945
   64    65   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    52    63.00000  120.00000
   38    56    59    70.00000  120.00000
   41    44    46    63.00000  120.00000
   41    44    61    63.00000  120.00000
   41    45    77    63.00000  120.00000
   41    45    48    63.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    50    63.00000  120.00000
   44    61    57    63.00000  120.00000
   44    61    66    63.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    66    63.00000  120.00000
   61    44    46    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    66    69    63.00000  120.00000
   61    66    77    63.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    75    63.00000  120.00000
   66    77    45    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    45    63.00000  120.00000
   77    66    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    45    48    63.00000  120.00000
   45    41    44    63.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    56    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    56    59    70.00000  120.00000
   56    38    41    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    62    70.00000  112.17500
   56    59    64    90.00000  112.51600
   59    62    63    37.50000  110.70000
   59    62    39    58.35000  112.70000
   59    62    67    50.00000  109.50000
   59    64    65    55.00000  108.50000
   62    59    60    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    42    50.00000  109.50000
   62    67    68    55.00000  108.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    62    63    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   67    62    63    35.00000  109.50000
   67    62    39    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    59    62    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    52   3.62500 -1.0 2.0
   33    38    56    59   3.62500 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    62  -0.03700  1.0 1.0
   38    33    39    62   0.37200 -1.0 2.0
   38    33    39    62  -0.47300  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    42   1.13150  1.0 1.0
   38    33    39    42  -1.01400 -1.0 2.0
   38    41    44    46   3.62500 -1.0 2.0
   38    41    44    61   3.62500 -1.0 2.0
   38    41    45    77   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   38    56    59    60   0.00000  1.0 1.0
   38    56   -59    62   0.04150 -1.0 2.0
   38    56    59    64   0.14300 -1.0 2.0
   38    56    59    64   0.00300  1.0 3.0
   41    38    56    52   3.62500 -1.0 2.0
   41    38    56    59   3.62500 -1.0 2.0
   41    44    46    47   3.62500 -1.0 2.0
   41    44    46    50   3.62500 -1.0 2.0
   41    44    61    57   3.62500 -1.0 2.0
   41    44    61    66   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   44    41    45    77   3.62500 -1.0 2.0
   44    41    45    48   3.62500 -1.0 2.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    54   3.62500 -1.0 2.0
   44    61    66    69   3.62500 -1.0 2.0
   44    61   -66    77   3.62500 -1.0 2.0
   46    44    61    57   3.62500 -1.0 2.0
   46    44    61    66   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50   -54    57   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   54    57   -61    44   3.62500 -1.0 2.0
   54    57    61    66   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61    66    69   3.62500 -1.0 2.0
   57    61    66    77   3.62500 -1.0 2.0
   58    57    61    44   3.62500 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   61    44    46    47   3.62500 -1.0 2.0
   61    44   -46    50   3.62500 -1.0 2.0
   61    66    69    70   3.62500 -1.0 2.0
   61    66    69    71   3.62500 -1.0 2.0
   61    66    77    75   3.62500 -1.0 2.0
   61    66    77    45   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    73   3.62500 -1.0 2.0
   66    77   -45    41   3.62500 -1.0 2.0
   66    77    45    48   3.62500 -1.0 2.0
   69    66    77    75   3.62500 -1.0 2.0
   69    66    77    45   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    66   3.62500 -1.0 2.0
   73    75    77    45   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    45    41   3.62500 -1.0 2.0
   75    77    45    48   3.62500 -1.0 2.0
   76    75    77    66   3.62500 -1.0 2.0
   76    75    77    45   3.62500 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    45    48    49   3.62500 -1.0 2.0
   77    45    48    52   3.62500 -1.0 2.0
   45    41    44    46   3.62500 -1.0 2.0
   45    41   -44    61   3.62500 -1.0 2.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    56   3.62500 -1.0 2.0
   48    52   -56    38   3.62500 -1.0 2.0
   48    52    56    59   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    56   3.62500 -1.0 2.0
   52    56    59    60   0.00000  1.0 1.0
   52    56    59    62   0.04150 -1.0 2.0
   52    56    59    64   0.14300 -1.0 2.0
   52    56    59    64   0.00300  1.0 3.0
   53    52    56    38   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    38    41    44   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    59    62    63   0.43200  1.0 3.0
   56    59    62    39  -0.03700  1.0 1.0
   56    59    62    39   0.37200 -1.0 2.0
   56    59    62    39  -0.47300  1.0 3.0
   56    59    62    67   1.13150  1.0 1.0
   56    59    62    67  -1.01400 -1.0 2.0
   56    59    64    65   0.31900  1.0 1.0
   56    59    64    65  -0.11800 -1.0 2.0
   56    59    64    65   0.38750  1.0 3.0
   59    62   -39    33   0.56750  1.0 1.0
   59    62   -39    33  -0.07550 -1.0 2.0
   59    62   -39    33   0.20000  1.0 3.0
   59    62    39    40   0.15000  1.0 3.0
   59    62    39    42   0.86500  1.0 1.0
   59    62    39    42  -0.17500 -1.0 2.0
   59    62    39    42   0.20800  1.0 3.0
   59    62    67    68  -0.11600  1.0 1.0
   59    62    67    68  -0.09450 -1.0 2.0
   59    62    67    68   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    39   0.15000  1.0 3.0
   60    59    62    67   0.23400  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   62    59    64    65  -0.11600  1.0 1.0
   62    59    64    65  -0.09450 -1.0 2.0
   62    59    64    65   0.21250  1.0 3.0
   62    39    42    43  -0.11600  1.0 1.0
   62    39    42    43  -0.09450 -1.0 2.0
   62    39    42    43   0.21250  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    42   0.23400  1.0 3.0
   63    62    67    68   0.19450  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    56   0.04150 -1.0 2.0
   39    62    67    68  -0.11600  1.0 1.0
   39    62    67    68  -0.09450 -1.0 2.0
   39    62    67    68   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   67    62    39    33   0.86500  1.0 1.0
   67    62    39    33  -0.17500 -1.0 2.0
   67    62    39    33   0.20800  1.0 3.0
   67    62    39    40   0.23400  1.0 3.0
   67    62    39    42   3.75450  1.0 1.0
   64    59    62    63   0.23400  1.0 3.0
   64    59    62    39   0.86500  1.0 1.0
   64    59    62    39  -0.17500 -1.0 2.0
   64    59    62    39   0.20800  1.0 3.0
   64    59    62    67   3.75450  1.0 1.0
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
   41    56    38    33   4.00000 -1.0 2.0
   44    45    41    38   4.00000 -1.0 2.0
   46    61    44    41   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   57    66    61    44   4.00000 -1.0 2.0
   69    77    66    61   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    45    77    66   4.00000 -1.0 2.0
   77    48    45    41   4.00000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   56    53    52    48   1.10000 -1.0 2.0
   52    59    56    38   4.00000 -1.0 2.0
END
