* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    143    236     426
    1     0 S   NP   _N1_     1    28.98702    95.89415   -25.51113
    2     1 S   H    _HN1     2     1.02948    71.97938     7.52856
    3     1 S   H    _H1_     3     1.02827    35.16010  -175.26803
    4     1 S   H    _H2_     4     1.02793   118.10772   -94.11653
    5     1 S   CT   _CA1     5     1.50123   125.78592   110.10765
    6     5 S   HC   _HA1     6     1.09572   105.17424    95.74596
    7     5 S   CO3  _C1_     7     1.53773   112.42298   -24.49834
    8     7 S   O2Z  _O11     8     1.26377   115.00319   -43.41373
    9     7 S   O2Z  _O12     9     1.26228   114.94678   135.58676
   10     5 S   CT   _CB1    10     1.53056   107.40113  -146.27122
   11    10 S   HC   HB11    11     1.09842   109.37197   -49.19587
   12    10 S   HC   HB12    12     1.09810   110.46791    67.40635
   13    10 S   CT   _CG1    13     1.53016   112.62406  -170.10954
   14    13 S   HC   HG11    14     1.09572   110.74481   -66.69127
   15    13 S   HC   HG12    15     1.09668   109.70140    52.56333
   16    13 S   C    _CD1    16     1.51808   111.96059   173.08624
   17    16 S   O    _OE1    17     1.22763   123.17149    12.49260
   18    16 S   N    _N2_    18     1.38610   111.83739  -167.59495
   19    18 S   H    _HN2    19     1.01607   119.09378     0.91472
   20    18 S   CT1  _CA2    20     1.46289   123.44073   177.34908
   21    20 S   HC   _HA2    21     1.09744   109.17204     8.84507
   22    20 S   C    _C2_    22     1.53735   109.38661  -106.72878
   23    22 S   O    _O2_    23     1.23096   122.15455  -153.21702
   24    20 S   CT   _CB2    32     1.53499   111.37181   130.64219
   25    24 S   HC   HB21    33     1.09395   109.08538    56.35257
   26    24 S   HC   HB22    34     1.09384   110.03998   175.32836
   27    22 S   N    _N3_    24     1.38287   114.05460    34.38691
   28    27 S   H    _HN3    25     1.01525   119.60192    -3.68414
   29    24 S   S    _SG2    35     1.83052   110.86532   -64.20732
   30    27 S   CT   _CA3    26     1.45277   123.31891   177.08893
   31    30 S   HC   HA31    27     1.09548   107.55479   -63.85739
   32    30 S   HC   HA32    28     1.09556   107.95628    52.60517
   33    29 S   CT   _C21    36     1.90232   101.81273  -175.90791
   34    30 S   CO3  _C3_    29     1.52982   114.02098   174.57216
   35    34 S   O2Z  _O31    30     1.26390   116.07536    -0.15451
   36    34 S   O2Z  _O32    31     1.26426   114.41870   179.89913
   37    33 S   CO4  _C22    37     1.54804   105.73123   -58.70729
   38    37 S   O    _O37    38     1.24018   119.23360    89.76747
   39    33 S   CT   _C20    70     1.55635   108.19182   179.82868
   40    39 S   OM   _O39    71     1.32436   110.91461  -176.61731
   41    39 S   HC   _H4_    72     1.10132   106.87922   -45.84023
   42    33 S   C    _C23    73     1.55881   105.58185    62.28032
   43    42 S   O    _O38    74     1.23035   124.08094  -122.76752
   44    37 S   CT   _C16    39     1.57708   119.07195   -88.53015
   45    44 S   OM   _O40    40     1.33563   103.60282   131.12204
   46    42 S   N    _N4_    75     1.38014   115.15798    58.29052
   47    46 S   H    _H13    76     1.01357   122.18367    -1.98278
   48    46 S   H    _H14    77     1.01307   120.32655   178.93431
   49    44 S   CMA  _C15    41     1.58332   113.41008  -110.96608
   50    49 S   OM   _O35    42     1.27076   112.65232   -38.76517
   51    49 S   CM   _C7_    43     1.36511   118.94567   139.56268
   52    51 S   CM   _C6_    44     1.45818   125.42810     1.16584
   53    52 S   CM   _C5_    45     1.35473   121.41560  -162.49820
   54    52 S   CT   _C18    63     1.50855   114.47248    17.66861
   55    54 S   HC   _H11    64     1.09753   109.28626    74.08319
   56    54 S   HC   _H12    65     1.09505   112.34075  -168.75812
   57    53 S   CA   _C10    46     1.49966   119.57084     8.23721
   58    53 S   CT   _C4_    59     1.50664   121.01135  -168.60226
   59    58 S   HC   _H5_    60     1.09389   111.21829   -92.13292
   60    58 S   HC   _H6_    61     1.09548   111.91397    28.48220
   61    58 S   HC   _H7_    62     1.09513   111.48670   144.66244
   62    44 S   CT   _C17    66     1.55738   111.45586    17.78126
   63    62 S   HC   _H3_    67     1.10165   110.54559    70.96038
   64    57 S   CA   _C9_    47     1.41556   117.97093   -23.71706
   65    62 S   CO4  _C19    68     1.53723   114.68088   -46.15380
   66    65 S   O    _O36    69     1.23842   120.67795  -156.09037
   67    51 S   CO4  _C8_    48     1.50194   119.32031   177.10099
   68    67 S   O    _O34    49     1.22501   124.30190   -33.15590
   69    64 S   CA   _C14    50     1.40740   121.41304  -174.71302
   70    69 S   CA   _C13    51     1.38693   120.50703    -1.96114
   71    70 S   HA   _H9_    52     1.08624   120.68903  -179.52276
   72    69 S   OH   _O33    57     1.36950   123.62350   179.25323
   73    72 S   HO   _H10    58     0.97447   108.80993    -2.17529
   74    70 S   CA   _C12    53     1.38742   119.31113    -1.64354
   75    74 S   HA   _H8_    54     1.08809   118.59608  -177.05989
   76    57 S   CA   _C11    55     1.41584   125.51194   156.49074
   77    76 S   Cl   Cl1_    56     1.73455   124.25288    -9.45987
  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  11   5   4   3
  16   2   1   1  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  12  16  15   9   4   3  14   5   2   1   1   3   2  10
   1   1   5   1   7   7   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    65    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    62    65    66    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    54    62    63    65    39    40    41    42    43    46  
   44    45    49    62    39    42  
   40    41    42    43    46    44    54    62    63    65    66  
   41    42    62    65    66  
   42    62    65    66  
   43    46    47    48    44    65  
   46    47    48  
   45    49    50    51    52    67    54    55    56    62    63    65    66  
   49    50    51    54    62    63    65  
   47    48  
   48  
    0  
   50    51    52    53    64    67    68    54    62    63    65  
   51    52    67    62  
   52    53    57    64    67    68    69    58    54    55    56    62  
   53    57    64    67    68    76    58    59    60    61    54    55    56    62    63    65  
   57    64    67    69    74    76    77    58    59    60    61    54    55    56    62  
   55    56    62    63    65    66    57    58    67  
   56    62    63    65  
   62    63    65  
   64    67    68    69    70    74    75    76    77    72    58    59    60    61  
   59    60    61    64    76  
   60    61  
   61  
    0  
   63    65    66  
   65    66  
   67    68    69    70    71    74    76    77    72    73  
   66  
    0  
   68    69    70    76    72  
   69  
   70    71    74    75    76    72    73  
   71    74    75    76    77    72    73  
   74    75    76    72  
   73    74  
    0  
   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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   270.000  1.512
   44    62   268.000  1.529
   49    50   745.000  1.250
   49    51   465.000  1.376
   51    52   380.000  1.444
   51    67   320.000  1.462
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    57   320.000  1.460
   53    58   317.000  1.510
   57    64   469.000  1.400
   57    76   469.000  1.400
   64    67   310.000  1.470
   64    69   469.000  1.400
   67    68   570.000  1.229
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   72    73   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    65    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    70.00000  109.06800
   37    44    62    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    85.00000  112.85300
   44    49    51    65.00000  122.18000
   44    62    54    58.35000  112.70000
   44    62    63    37.50000  110.70000
   44    62    65    63.00000  111.10000
   49    44    45    85.00000  110.90400
   49    51    52    70.00000  117.34000
   49    51    67    60.00000  125.92000
   51    49    50    65.00000  137.10300
   51    52    53    70.00000  123.01800
   51    52    54    70.00000  124.00000
   51    67    64    65.00000  117.02400
   51    67    68    80.00000  123.72100
   52    53    57    60.00000  123.20500
   52    53    58    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    62    70.00000  112.02700
   53    57    64    60.00000  120.93500
   53    57    76    60.00000  120.93500
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   57    64    67    60.00000  119.52600
   57    64    69    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    75.00000  120.00000
   64    67    68    75.00000  123.78400
   64    69    70    63.00000  120.00000
   64    69    72    70.00000  120.00000
   67    51    52    65.00000  118.96000
   69    64    67    60.00000  119.52600
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    57    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   72    69    70    70.00000  120.00000
   58    53    57    65.00000  118.87000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    52    53    70.00000  124.00000
   54    62    63    37.50000  110.70000
   54    62    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   62    44    45    50.00000  109.50000
   62    44    49    70.00000  112.02700
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    39    70.00000  116.00000
   65    62    63    35.00000  109.50000
   65    39    40    90.00000  108.74100
   65    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    65    66    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    65   0.56750  1.0 1.0
   29    33    39    65  -0.07550 -1.0 2.0
   29    33    39    65   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    62   0.60050  1.0 1.0
   33    37    44    62   0.05600 -1.0 2.0
   33    37    44    62   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    65   0.11950  1.0 1.0
   37    33    39    65   0.20300 -1.0 2.0
   37    33    39    65  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.09700  1.0 1.0
   37    44    49    50   0.15600 -1.0 2.0
   37    44    49    50  -0.50800  1.0 3.0
   37    44    49    51  -0.51250  1.0 1.0
   37    44    49    51  -0.88800 -1.0 2.0
   37    44    49    51   0.08850  1.0 3.0
   37    44    62    54  -0.95700  1.0 1.0
   37    44    62    54  -0.18200 -1.0 2.0
   37    44    62    54   0.29450  1.0 3.0
   37    44    62    63  -0.11250  1.0 3.0
   37    44   -62    65   0.11950  1.0 1.0
   37    44   -62    65   0.20300 -1.0 2.0
   37    44   -62    65  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    62   0.30150 -1.0 2.0
   44    49    51    52   7.00000 -1.0 2.0
   44    49    51    67   7.00000 -1.0 2.0
   44    62    65    66   0.30150 -1.0 2.0
   44    62    65    39   0.60050  1.0 1.0
   44    62    65    39   0.05600 -1.0 2.0
   44    62    65    39   0.26150  1.0 3.0
   45    44    49    50   0.09700  1.0 1.0
   45    44    49    50   0.15600 -1.0 2.0
   45    44    49    50  -0.50800  1.0 3.0
   45    44    49    51   0.39000  1.0 1.0
   45    44    49    51  -0.05800 -1.0 2.0
   45    44    49    51  -0.55150  1.0 3.0
   45    44    62    54   0.62750  1.0 1.0
   45    44    62    54  -0.30950 -1.0 2.0
   45    44    62    54   0.27300  1.0 3.0
   45    44    62    63   0.23400  1.0 3.0
   45    44    62    65  -0.09450  1.0 1.0
   45    44    62    65  -1.12950 -1.0 2.0
   45    44    62    65   0.54000  1.0 3.0
   49    44    62    54   0.34400  1.0 1.0
   49    44    62    54   0.09450 -1.0 2.0
   49    44    62    54   0.11100  1.0 3.0
   49    44    62    63   0.15000  1.0 3.0
   49    44    62    65  -0.98800  1.0 1.0
   49    44    62    65   0.48800 -1.0 2.0
   49    44    62    65   0.76800  1.0 3.0
   49    51    52    53   0.28850  1.0 1.0
   49    51    52    53   2.61350 -1.0 2.0
   49    51    52    53   0.78400  1.0 3.0
   49    51   -52    54  -0.18600  1.0 3.0
   49    51    67    64  -1.65800  1.0 1.0
   49    51    67    64   0.77650 -1.0 2.0
   49    51    67    68   1.00000 -1.0 2.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    67   7.00000 -1.0 2.0
   51    52    53    57   7.00000 -1.0 2.0
   51    52    53    58   7.00000 -1.0 2.0
   51    52    54    55   0.00000  1.0 1.0
   51    52    54    56   0.00000  1.0 1.0
   51    52    54    62   0.98200  1.0 1.0
   51    52    54    62  -0.11900 -1.0 2.0
   51    52    54    62   0.24250  1.0 3.0
   52    51    67    64  -1.65800  1.0 1.0
   52    51    67    64   0.77650 -1.0 2.0
   52    51    67    68   1.00000 -1.0 2.0
   52    53   -57    64   0.15800  1.0 1.0
   52    53   -57    64   1.85350 -1.0 2.0
   52    53   -57    64  -0.48700  1.0 3.0
   52    53    57    76   0.15800  1.0 1.0
   52    53    57    76   1.85350 -1.0 2.0
   52    53    57    76  -0.48700  1.0 3.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    61   0.00000  1.0 1.0
   52    54   -62    44   0.34400  1.0 1.0
   52    54   -62    44   0.09450 -1.0 2.0
   52    54   -62    44   0.11100  1.0 3.0
   52    54    62    63   0.15000  1.0 3.0
   52    54    62    65  -0.98800  1.0 1.0
   52    54    62    65   0.48800 -1.0 2.0
   52    54    62    65   0.76800  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    62   0.09850  1.0 1.0
   53    52    54    62   0.15250 -1.0 2.0
   53    52    54    62  -0.50650  1.0 3.0
   53    57    64    67   3.62500 -1.0 2.0
   53    57    64    69   3.62500 -1.0 2.0
   53    57    76    74   3.62500 -1.0 2.0
   53    57    76    77   3.62500 -1.0 2.0
   57    53    58    59   0.77000  1.0 3.0
   57    53    58    60   0.77000  1.0 3.0
   57    53    58    61   0.77000  1.0 3.0
   57    64   -67    51  -0.11500  1.0 1.0
   57    64   -67    51   1.10450 -1.0 2.0
   57    64   -67    51  -0.48050  1.0 3.0
   57    64    67    68   1.05000 -1.0 2.0
   57    64    69    70   3.62500 -1.0 2.0
   57    64    69    72   3.62500 -1.0 2.0
   64    57    76    74   3.62500 -1.0 2.0
   64    57    76    77   3.62500 -1.0 2.0
   64    69    70    71   3.62500 -1.0 2.0
   64    69   -70    74   3.62500 -1.0 2.0
   64    69    72    73   0.84100 -1.0 2.0
   67    51   -52    53  -0.18600  1.0 3.0
   67    51    52    54   1.08500 -1.0 2.0
   67    64    69    70   3.62500 -1.0 2.0
   67    64    69    72   3.62500 -1.0 2.0
   69    64    67    51  -0.11500  1.0 1.0
   69    64    67    51   1.10450 -1.0 2.0
   69    64    67    51  -0.48050  1.0 3.0
   69    64    67    68   1.05000 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   69    70    74    76   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   70    74   -76    57   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57    64    67   3.62500 -1.0 2.0
   76    57   -64    69   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
   58    53    57    64  -0.02500  1.0 1.0
   58    53    57    64  -0.32150 -1.0 2.0
   58    53    57    64  -0.01500  1.0 3.0
   58    53    57    76  -0.02500  1.0 1.0
   58    53    57    76  -0.32150 -1.0 2.0
   58    53    57    76  -0.01500  1.0 3.0
   54    52    53    57   7.00000 -1.0 2.0
   54    52    53    58   7.00000 -1.0 2.0
   54    62    65    66   0.30150 -1.0 2.0
   54    62    65    39   0.60050  1.0 1.0
   54    62    65    39   0.05600 -1.0 2.0
   54    62    65    39   0.26150  1.0 3.0
   55    54    62    44   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    65  -0.11250  1.0 3.0
   56    54    62    44   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    65  -0.11250  1.0 3.0
   62    44    49    50   0.09700  1.0 1.0
   62    44    49    50   0.15600 -1.0 2.0
   62    44    49    50  -0.50800  1.0 3.0
   62    44   -49    51   0.09850  1.0 1.0
   62    44   -49    51   0.15250 -1.0 2.0
   62    44   -49    51  -0.50650  1.0 3.0
   62    65   -39    33   0.60050  1.0 1.0
   62    65   -39    33   0.05600 -1.0 2.0
   62    65   -39    33   0.26150  1.0 3.0
   62    65    39    40   0.55300  1.0 1.0
   62    65    39    40   1.25850 -1.0 2.0
   62    65    39    40  -0.23600  1.0 3.0
   62    65    39    41   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    39   0.00000  1.0 1.0
   66    65    39    33   0.30150 -1.0 2.0
   66    65    39    40   0.30150 -1.0 2.0
   66    65    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    65   0.11950  1.0 1.0
   42    33    39    65   0.20300 -1.0 2.0
   42    33    39    65  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    50    49    51   1.10000 -1.0 2.0
   52    67    51    49   1.10000 -1.0 2.0
   51    54    52    53   1.10000 -1.0 2.0
   57    58    53    52   1.10000 -1.0 2.0
   64    76    57    53   4.00000 -1.0 2.0
   67    69    64    57   4.00000 -1.0 2.0
   51    64    67    68  10.50000 -1.0 2.0
   70    72    69    64   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   62    39    65    66  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
