* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    165    270     494
    1     0 S   NP   _N1_     1    30.76533    94.59609   -15.85302
    2     1 S   H    _HN1     2     1.03215   123.48547   149.04801
    3     1 S   H    _H1_     3     1.02698    28.11227    87.67060
    4     1 S   H    _H2_     4     1.03116   118.07481    12.27885
    5     1 S   CT   _CA1     5     1.50057    83.92817  -100.35310
    6     5 S   HC   _HA1     6     1.09569   105.24272    57.48289
    7     5 S   CO3  _C1_     7     1.53731   113.00114   -62.76636
    8     7 S   O2Z  _O11     8     1.26325   115.30621   -39.77676
    9     7 S   O2Z  _O12     9     1.26319   114.86787   139.52308
   10     5 S   CT   _CB1    10     1.52913   107.13359   175.25137
   11    10 S   HC   HB11    11     1.09822   108.92476   -53.26718
   12    10 S   HC   HB12    12     1.09692   109.89935    62.78632
   13    10 S   CT   _CG1    13     1.53065   113.74774  -175.09252
   14    13 S   HC   HG11    14     1.09561   111.11879   -75.76401
   15    13 S   HC   HG12    15     1.09604   110.62315    43.86134
   16    13 S   C    _CD1    16     1.51514   110.39246   163.17454
   17    16 S   O    _OE1    17     1.22876   121.50942  -111.07122
   18    16 S   N    _N2_    18     1.38475   113.21911    67.67059
   19    18 S   H    _HN2    19     1.01626   119.39848     4.57098
   20    18 S   CT1  _CA2    20     1.46272   123.02565  -171.74398
   21    20 S   HC   _HA2    21     1.09734   109.14244    -4.84242
   22    20 S   C    _C2_    22     1.53322   109.28921  -120.90842
   23    22 S   O    _O2_    23     1.23053   122.08832  -148.53417
   24    20 S   CT   _CB2    32     1.53853   111.43962   116.23698
   25    24 S   HC   HB21    33     1.09142   109.32861    66.36558
   26    24 S   HC   HB22    34     1.09562   109.61566  -175.79076
   27    22 S   N    _N3_    24     1.38469   113.60607    39.02793
   28    27 S   H    _HN3    25     1.01513   118.91124    -0.74151
   29    24 S   S    _SG2    35     1.83485   110.91857   -56.26064
   30    27 S   CT   _CA3    26     1.45423   123.31663   175.44263
   31    30 S   HC   HA31    27     1.09538   109.03454    27.95429
   32    30 S   HC   HA32    28     1.09494   107.15751   144.87080
   33    29 S   CT   _C18    36     1.86520   104.43472   163.75397
   34    33 S   OM   _O37    37     1.31885   111.37559    33.70874
   35    30 S   CO3  _C3_    29     1.52925   113.32018   -95.42730
   36    35 S   O2Z  _O31    30     1.26392   115.49462   -44.08471
   37    35 S   O2Z  _O32    31     1.26381   114.95122   136.96207
   38    33 S   CT   _C19    38     1.57247   110.07423   -86.43296
   39    38 S   HC   _H5_    39     1.10421   108.32092  -178.02731
   40    33 S   CT   _C17    72     1.59376   111.17512   155.74773
   41    40 S   HC   _H4_    73     1.09987   107.31266   176.33735
   42    38 S   CO4  _C20    40     1.53639   111.94112   -65.00654
   43    42 S   O    _O33    41     1.23547   120.31811   136.10109
   44    40 S   NP   _N5_    74     1.55567   116.73756   -69.88946
   45    44 S   H    _H16    75     1.02367   103.95908   179.29557
   46    38 S   C    _C23    84     1.54321   115.44558    64.92516
   47    46 S   O    _O36    85     1.22916   124.15451   -91.98470
   48    42 S   CT   _C21    42     1.54631   116.78462   -51.65666
   49    48 S   OM   _O35    43     1.32428   106.78945   167.24518
   50    44 S   CT   _C24    76     1.51072   115.28639   -70.77750
   51    50 S   HC   _H17    77     1.09156   109.66296    83.58784
   52    50 S   HC   _H18    78     1.09436   107.30365  -157.59853
   53    50 S   HC   _H19    79     1.09277   108.79803   -39.42190
   54    44 S   CT   _C25    80     1.50027   118.05124    63.64808
   55    54 S   HC   _H20    81     1.09142   109.26898   -78.27289
   56    54 S   HC   _H21    82     1.09086   109.35188    44.90813
   57    54 S   HC   _H22    83     1.09429   107.43921   163.05089
   58    46 S   N    _N4_    86     1.37746   113.71605    88.18759
   59    58 S   H    _H14    87     1.01435   122.03246    -4.63062
   60    58 S   H    _H15    88     1.01333   120.47952   179.94766
   61    48 S   CO4  _C22    44     1.53483   110.18957   -78.09234
   62    61 S   O    _O34    45     1.23248   120.81116   -33.69644
   63    61 S   CA   _C13    46     1.50664   120.17444   146.05943
   64    63 S   CA   _C14    47     1.40395   119.84414     7.00885
   65    63 S   CA   _C12    58     1.40975   120.76659  -172.47342
   66    64 S   CA   _C5_    48     1.42004   119.54654   176.26839
   67    65 S   OH   _O38    59     1.37683   120.60175     0.06256
   68    67 S   HO   _H23    60     0.97246   109.82347    -4.32250
   69    64 S   CT   _C15    67     1.51086   119.62207    -1.54091
   70    69 S   HC   _H12    68     1.09817   107.51879    90.62669
   71    69 S   HC   _H13    69     1.09195   112.06749  -154.91131
   72    66 S   CA   _C6_    49     1.43027   120.59735     7.29342
   73    66 S   CT   _C4_    63     1.51719   119.51857  -174.19356
   74    73 S   HC   _H6_    64     1.09405   110.08304   -92.57493
   75    73 S   HC   _H7_    65     1.09394   112.09664    29.27588
   76    73 S   HC   _H8_    66     1.09406   111.75173   145.33411
   77    48 S   CT   _C16    70     1.54689   112.05642    46.88550
   78    77 S   HC   _H3_    71     1.09917   109.10024    69.79521
   79    72 S   CA   _C7_    50     1.41880   122.17473   174.06030
   80    79 S   HA   _H9_    51     1.08755   121.12607    -1.63566
   81    79 S   CA   _C8_    52     1.39355   122.75596   179.25585
   82    81 S   HA   _H10    53     1.08603   120.09523  -179.94405
   83    81 S   CA   _C9_    54     1.38062   119.58670     0.19584
   84    83 S   HA   _H11    55     1.08600   119.46078  -179.92087
   85    83 S   CA   _C10    56     1.39549   119.29416     0.47313
   86    72 S   CA   _C11    57     1.42023   119.83703    -5.58763
   87    85 S   OH   _O39    61     1.37461   117.24126   179.50504
   88    87 S   HO   _H24    62     0.97163   109.42362     0.58584
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   7  22   8  12   5  13   9   5   3  11
   6   8   3   2   1   4   2   1   1   2   1   1  10   4  13  15
  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4
   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    77    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    69    77    78    40    41    44    45    50    54    46    47    58  
   38    39    42    77    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    61    77    40    41    44    46    47    58    59    60  
   42    43    48    40    46    47    58  
   41    44    45    50    51    52    53    54    55    56    57    46    42    48    49    61    64    69    70    71    77    78  
   44    45    50    54    48    69    77    78  
   43    48    49    61    62    63    69    77    78    46    47    58  
   48    49    61    77    46  
   45    50    51    52    53    54    55    56    57    48    69    77    78  
   50    51    52    53    54    55    56    57    77  
   47    58    59    60    48  
   58    59    60  
   49    61    62    63    64    65    69    70    71    77    78  
   61    62    63    69    77    78  
   51    52    53    54    55    56    57    77  
   52    53    54  
   53    54  
   54  
   55    56    57    77  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
   62    63    64    66    86    65    67    69    77    78  
   63    64    65    77  
   64    66    72    85    86    65    67    68    73    69    70    71    77  
   66    72    79    86    65    67    73    74    75    76    69    70    71    77    78  
   67    68    87    69    66    72    79    83    85    86  
   72    79    80    81    85    86    73    74    75    76    69    70    71    77  
   68    72    85    86  
   86  
   70    71    77    78    72    73  
   71    77    78  
   77    78  
   79    80    81    82    83    85    86    87    73    74    75    76  
   74    75    76    79    86  
   75    76  
   76  
    0  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82    83    84    85    86    87  
   83    84    85  
   84    85    86    87    88  
   85    86    87  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   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    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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   570.000  1.307
   48    61   317.000  1.522
   48    77   268.000  1.529
   61    62   570.000  1.229
   61    63   310.000  1.470
   63    64   469.000  1.400
   63    65   469.000  1.400
   64    66   469.000  1.400
   64    69   317.000  1.510
   66    72   469.000  1.400
   66    73   317.000  1.510
   72    79   469.000  1.400
   72    86   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   87    88   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    50   367.000  1.471
   44    54   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    58   490.000  1.335
   58    59   434.000  1.010
   58    60   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    77    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    58    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    49    90.00000  108.74100
   42    48    61    75.00000  107.99600
   42    48    77    63.00000  111.10000
   48    42    43    80.00000  120.40000
   48    61    62    80.00000  120.40000
   48    61    63    65.00000  115.47100
   48    77    69    58.35000  112.70000
   48    77    78    37.50000  110.70000
   48    77    40    58.35000  112.70000
   61    48    49    90.00000  108.74100
   61    63    64    60.00000  119.52600
   61    63    65    60.00000  119.52600
   63    61    62    75.00000  123.78400
   63    64    66    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    86    63.00000  120.00000
   63    65    67    70.00000  120.00000
   64    66    72    63.00000  120.00000
   64    66    73    70.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    77    70.00000  112.17500
   66    72    79    63.00000  120.00000
   66    72    86    63.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   72    86    85    63.00000  120.00000
   72    86    65    63.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    63.00000  120.00000
   83    85    87    70.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    65    63.00000  120.00000
   85    87    88    35.00000  113.00000
   86    72    79    63.00000  120.00000
   86    65    67    70.00000  120.00000
   65    63    64    63.00000  120.00000
   65    67    68    35.00000  113.00000
   87    85    86    70.00000  120.00000
   73    66    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    64    66    70.00000  120.00000
   69    77    78    37.50000  110.70000
   69    77    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    48    49    50.00000  109.50000
   77    48    61    63.00000  111.10000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    40    41    37.50000  110.70000
   77    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    77    78    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    50    75.00000  113.01200
   40    44    54    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   44    54    55    35.00000  109.50000
   44    54    56    35.00000  109.50000
   44    54    57    35.00000  109.50000
   50    44    45    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    50    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    58    59    35.00000  119.80000
   46    58    60    35.00000  119.80000
   58    46    47    80.00000  122.90000
   60    58    59    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    77   0.44750  1.0 1.0
   29    33    40    77  -0.17800 -1.0 2.0
   29    33    40    77   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    58   1.39750  1.0 1.0
   33    38    46    58  -0.07950 -1.0 2.0
   33    38    46    58  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    50   0.47100  1.0 1.0
   33    40    44    54   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    77   0.62750  1.0 1.0
   34    33    40    77  -0.30950 -1.0 2.0
   34    33    40    77   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    77   0.56750  1.0 1.0
   38    33    40    77  -0.07550 -1.0 2.0
   38    33    40    77   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    49   0.55300  1.0 1.0
   38    42    48    49   1.25850 -1.0 2.0
   38    42    48    49  -0.23600  1.0 3.0
   38    42    48    61   0.65300  1.0 1.0
   38    42    48    61  -0.03850 -1.0 2.0
   38    42    48    61   0.33900  1.0 3.0
   38    42   -48    77   0.60050  1.0 1.0
   38    42   -48    77   0.05600 -1.0 2.0
   38    42   -48    77   0.26150  1.0 3.0
   38    46    58    59   2.45000 -1.0 2.0
   38    46    58    60   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    58   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    58   0.00000  1.0 1.0
   42    48    61    62   0.30150 -1.0 2.0
   42    48    61    63   0.65300  1.0 1.0
   42    48    61    63  -0.03850 -1.0 2.0
   42    48    61    63   0.33900  1.0 3.0
   42    48    77    69  -0.95700  1.0 1.0
   42    48    77    69  -0.18200 -1.0 2.0
   42    48    77    69   0.29450  1.0 3.0
   42    48    77    78  -0.11250  1.0 3.0
   42    48    77    40  -0.95700  1.0 1.0
   42    48    77    40  -0.18200 -1.0 2.0
   42    48    77    40   0.29450  1.0 3.0
   43    42    48    49   0.30150 -1.0 2.0
   43    42    48    61   0.30150 -1.0 2.0
   43    42    48    77   0.30150 -1.0 2.0
   48    61    63    64   2.26350  1.0 1.0
   48    61    63    64   0.76750 -1.0 2.0
   48    61    63    64   0.22500  1.0 3.0
   48    61    63    65   2.26350  1.0 1.0
   48    61    63    65   0.76750 -1.0 2.0
   48    61    63    65   0.22500  1.0 3.0
   48    77   -40    33   0.56750  1.0 1.0
   48    77   -40    33  -0.07550 -1.0 2.0
   48    77   -40    33   0.20000  1.0 3.0
   48    77    40    41   0.15000  1.0 3.0
   48    77    40    44   1.36600  1.0 1.0
   48    77    40    44  -0.11450 -1.0 2.0
   48    77    40    44   0.24250  1.0 3.0
   49    48    61    62   0.30150 -1.0 2.0
   49    48    61    63   0.65300  1.0 1.0
   49    48    61    63  -0.03850 -1.0 2.0
   49    48    61    63   0.33900  1.0 3.0
   49    48    77    69   0.62750  1.0 1.0
   49    48    77    69  -0.30950 -1.0 2.0
   49    48    77    69   0.27300  1.0 3.0
   49    48    77    78   0.23400  1.0 3.0
   49    48    77    40   0.62750  1.0 1.0
   49    48    77    40  -0.30950 -1.0 2.0
   49    48    77    40   0.27300  1.0 3.0
   61    48    77    69  -0.95700  1.0 1.0
   61    48    77    69  -0.18200 -1.0 2.0
   61    48    77    69   0.29450  1.0 3.0
   61    48    77    78  -0.11250  1.0 3.0
   61    48    77    40  -0.95700  1.0 1.0
   61    48    77    40  -0.18200 -1.0 2.0
   61    48    77    40   0.29450  1.0 3.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63   -64    69   3.62500 -1.0 2.0
   61    63    65    86   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    65   1.05000 -1.0 2.0
   63    64    66    72   3.62500 -1.0 2.0
   63    64    66    73   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    77   0.04150 -1.0 2.0
   63    65    67    68   0.84100 -1.0 2.0
   64    63    65    86   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   64    66    72    79   3.62500 -1.0 2.0
   64    66   -72    86   3.62500 -1.0 2.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    75   0.00000  1.0 1.0
   64    66    73    76   0.00000  1.0 1.0
   64    69   -77    48  -0.03700  1.0 1.0
   64    69   -77    48   0.37200 -1.0 2.0
   64    69   -77    48  -0.47300  1.0 3.0
   64    69    77    78   0.43200  1.0 3.0
   64    69    77    40  -0.03700  1.0 1.0
   64    69    77    40   0.37200 -1.0 2.0
   64    69    77    40  -0.47300  1.0 3.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   66    64    69    77   0.04150 -1.0 2.0
   66    72    79    80   3.62500 -1.0 2.0
   66    72    79    81   3.62500 -1.0 2.0
   66    72    86    85   3.62500 -1.0 2.0
   66    72    86    65   3.62500 -1.0 2.0
   72    66    73    74   0.00000  1.0 1.0
   72    66    73    75   0.00000  1.0 1.0
   72    66    73    76   0.00000  1.0 1.0
   72    79    81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   72    86   -65    63   3.62500 -1.0 2.0
   72    86    65    67   3.62500 -1.0 2.0
   79    72    86    85   3.62500 -1.0 2.0
   79    72    86    65   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81   -83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83    85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85   -86    72   3.62500 -1.0 2.0
   83    85    86    65   3.62500 -1.0 2.0
   83    85    87    88   0.84100 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    86    65    63   3.62500 -1.0 2.0
   85    86    65    67   3.62500 -1.0 2.0
   86    72    79    80   3.62500 -1.0 2.0
   86    72   -79    81   3.62500 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   86    65    67    68   0.84100 -1.0 2.0
   65    63   -64    66   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   87    85    86    72   3.62500 -1.0 2.0
   87    85    86    65   3.62500 -1.0 2.0
   73    66    72    79   3.62500 -1.0 2.0
   73    66    72    86   3.62500 -1.0 2.0
   69    64    66    72   3.62500 -1.0 2.0
   69    64    66    73   3.62500 -1.0 2.0
   69    77    40    33   0.56750  1.0 1.0
   69    77    40    33  -0.07550 -1.0 2.0
   69    77    40    33   0.20000  1.0 3.0
   69    77    40    41   0.15000  1.0 3.0
   69    77    40    44   1.36600  1.0 1.0
   69    77    40    44  -0.11450 -1.0 2.0
   69    77    40    44   0.24250  1.0 3.0
   70    69    77    48   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    40   0.15000  1.0 3.0
   71    69    77    48   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    40   0.15000  1.0 3.0
   77    48    61    62   0.30150 -1.0 2.0
   77    48   -61    63   0.05850 -1.0 2.0
   77    48   -61    63   0.17250  1.0 3.0
   77    40    44    45   0.17350  1.0 3.0
   77    40    44    50   0.47100  1.0 1.0
   77    40    44    54   0.47100  1.0 1.0
   78    77    40    33   0.15000  1.0 3.0
   78    77    40    41   0.15000  1.0 3.0
   78    77    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44    54    56   0.15000  1.0 3.0
   40    44    54    57   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    54   0.15000  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   45    44    54    55   0.13050  1.0 3.0
   45    44    54    56   0.13050  1.0 3.0
   45    44    54    57   0.13050  1.0 3.0
   50    44    54    55   0.15000  1.0 3.0
   50    44    54    56   0.15000  1.0 3.0
   50    44    54    57   0.15000  1.0 3.0
   54    44    50    51   0.15000  1.0 3.0
   54    44    50    52   0.15000  1.0 3.0
   54    44    50    53   0.15000  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    58    59   2.45000 -1.0 2.0
   47    46    58    60   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
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    63    61    62  10.50000 -1.0 2.0
   64    65    63    61   4.00000 -1.0 2.0
   66    69    64    63   4.00000 -1.0 2.0
   72    73    66    64   4.00000 -1.0 2.0
   79    86    72    66   4.00000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   86    87    85    83   4.00000 -1.0 2.0
   85    65    86    72   4.00000 -1.0 2.0
   86    67    65    63   4.00000 -1.0 2.0
   38    58    46    47  10.50000 -1.0 2.0
   60    46    58    59   1.00000 -1.0 2.0
END
