* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    156    221     450
    1     0 S   NP   _N1_     1    30.53801   102.16876   -20.87247
    2     1 S   H    _HN1     2     1.02793    64.47385   145.15606
    3     1 S   H    _H1_     3     1.03071   127.53358  -121.44442
    4     1 S   H    _H2_     4     1.02893    43.31155   -44.83205
    5     1 S   CT   _CA1     5     1.49975   119.48396    44.66970
    6     5 S   HC   _HA1     6     1.09527   104.95133   132.18296
    7     5 S   CO3  _C1_     7     1.53713   113.01051    11.84284
    8     7 S   O2Z  _O11     8     1.26388   115.02936   -36.19309
    9     7 S   O2Z  _O12     9     1.26232   115.03593   143.05303
   10     5 S   CT   _CB1    10     1.53054   107.51315  -109.40426
   11    10 S   HC   HB11    11     1.09650   109.75307   -43.15030
   12    10 S   HC   HB12    12     1.09805   110.63813    73.43023
   13    10 S   CT   _CG1    13     1.52911   112.25309  -164.23982
   14    13 S   HC   HG11    14     1.09535   110.71510   -74.33309
   15    13 S   HC   HG12    15     1.09520   109.74899    44.60036
   16    13 S   C    _CD1    16     1.51682   111.43787   165.89373
   17    16 S   O    _OE1    17     1.22810   122.71916    31.59685
   18    16 S   N    _N2_    18     1.38446   112.37035  -149.68981
   19    18 S   H    _HN2    19     1.01528   119.16195     3.74993
   20    18 S   CT1  _CA2    20     1.45951   122.97741   178.38954
   21    20 S   HC   _HA2    21     1.09663   110.07170    23.23586
   22    20 S   C    _C2_    22     1.52846   104.83347   -94.27241
   23    22 S   O    _O2_    23     1.22994   122.55256   -90.06294
   24    20 S   CT   _CB2    32     1.53242   111.27449   146.52217
   25    24 S   HC   HB21    33     1.09250   109.65392    55.51768
   26    24 S   HC   HB22    34     1.09537   110.07963   173.65739
   27    22 S   N    _N3_    24     1.38427   112.99975    86.09323
   28    27 S   H    _HN3    25     1.01715   120.00521     1.80255
   29    24 S   S    _SG2    35     1.82864   110.99300   -66.79805
   30    27 S   CT   _CA3    26     1.45385   122.61265  -178.89500
   31    30 S   HC   HA31    27     1.09531   107.34227   -73.96093
   32    30 S   HC   HA32    28     1.09558   108.35332    42.38721
   33    29 S   CT   _C13    36     1.86733   101.91755   148.68105
   34    30 S   CO3  _C3_    29     1.52810   113.99734   165.37986
   35    34 S   O2Z  _O31    30     1.26324   115.91218    22.62471
   36    34 S   O2Z  _O32    31     1.26416   114.61780  -157.19377
   37    33 S   CO4  _C11    37     1.53739   107.66085   174.51016
   38    37 S   O    _O23    38     1.23244   122.49158   -24.20754
   39    33 S   CT   _C16    83     1.54193   107.77689    59.33443
   40    39 S   HC   _H33    84     1.09495   112.13715   -68.42778
   41    39 S   HC   _H34    85     1.09602   111.83889   171.70715
   42    39 S   HC   _H35    86     1.09702   111.54523    53.19858
   43    37 S   CM   _C9_    39     1.50946   118.57826   160.23980
   44    43 S   CM   _C8_    40     1.34700   120.87174    -7.01084
   45    43 S   CT   _C15    79     1.50546   114.01670   172.12020
   46    45 S   HC   _H30    80     1.09499   110.16294   -68.26140
   47    45 S   HC   _H31    81     1.09163   113.69380   170.44823
   48    45 S   HC   _H32    82     1.09582   110.42296    51.49316
   49    44 S   CO4  _C10    41     1.49862   119.85948    -5.11021
   50    49 S   O    _O22    42     1.23085   120.63492   166.67517
   51    44 S   CT   _C14    75     1.50355   125.96314   174.88285
   52    51 S   HC   _H27    76     1.09506   110.07977   113.16965
   53    51 S   HC   _H28    77     1.09152   113.74514    -7.99063
   54    51 S   HC   _H29    78     1.09570   110.46203  -127.19552
   55    33 S   CT   _C12    43     1.54693   112.47218   -64.79258
   56    55 S   HC   _H26    44     1.09709   108.69964    70.88209
   57    55 S   CT   _C21    45     1.54881   115.79100   -51.55596
   58    57 S   HC   _H44    46     1.09352   110.81509    47.66820
   59    57 S   HC   _H45    47     1.09677   110.63104   -70.25438
   60    57 S   CT   _C24    48     1.53648   112.48594   167.60458
   61    60 S   HC   _H50    49     1.09555   110.23377    60.39592
   62    60 S   HC   _H51    50     1.09628   109.14580   -57.32997
   63    60 S   CT   _C23    51     1.53300   110.99271  -178.74742
   64    63 S   HC   _H48    52     1.09596   109.77424    57.33924
   65    63 S   HC   _H49    53     1.09719   108.68229   -59.17267
   66    63 S   CT   _C18    54     1.52872   112.96551  -179.45177
   67    66 S   HC   _H38    55     1.09600   110.06639    52.32774
   68    66 S   HC   _H39    56     1.09653   108.65037   168.84209
   69    66 S   CZ   _C5_    57     1.46981   112.49313   -70.76394
   70    69 S   CZ   _C4_    58     1.20115   178.75479  -157.34361
   71    70 S   CT   _C17    59     1.46958   178.80090    -0.01978
   72    71 S   HC   _H36    60     1.09678   108.57470   -35.07052
   73    71 S   HC   _H37    61     1.09542   110.04508    81.02388
   74    71 S   CT   _C22    62     1.53167   112.42233  -155.01093
   75    74 S   HC   _H46    63     1.09772   109.30362    53.55815
   76    74 S   HC   _H47    64     1.09778   108.45213   169.45532
   77    74 S   CT   _C19    65     1.53144   114.47373   -68.40748
   78    77 S   HC   _H40    66     1.09454   110.49313    56.67005
   79    77 S   HC   _H41    67     1.09658   108.49772   173.02720
   80    77 S   CZ   _C6_    68     1.46965   112.20694   -66.86485
   81    80 S   CZ   _C7_    69     1.20115   179.37599  -108.79595
   82    81 S   CT   _C20    70     1.46253   179.12285   -16.29981
   83    82 S   HC   _H42    71     1.09424   110.61670    51.06291
   84    82 S   HC   _H43    72     1.09351   110.83381   -69.70328
   85    82 S   OH   _O24    73     1.42328   109.90136   170.86481
   86    85 S   HO   _H52    74     0.97327   106.27810  -173.41915
  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  12   5   4   3
  17   2   1   1  16   5   8   3   2   1  12  13   5   2   1   1
  11   4   4   2   1   1   8   4   9   5   4   9   5   4   7   5
   4   5   3   2   5   7   9   5   4   7   5   4   5   3   2   5
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    49    55    56    57    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    50    55    56    57    58    59    60    45    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    49    55    56    57    51    45    46    47    48    39    40    41    42  
   43    44    55    45    39  
   40    41    42    43    49    55    56    57  
   41    42    55  
   42    55  
   55  
   44    49    50    55    51    52    53    54    45    46    47    48  
   49    50    55    56    57    51    52    53    54    45    46    47    48  
   46    47    48    49    51  
   47    48  
   48  
    0  
   50    55    56    57    58    59    60    51    52    53    54  
   55    56    57    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    63  
   57    58    59    60  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70    71    72    73    74  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82  
   79    80    81  
   80    81  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    55   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   549.000  1.340
   43    45   317.000  1.510
   44    49   320.000  1.462
   44    51   317.000  1.510
   49    50   570.000  1.229
   49    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   390.000  1.470
   69    70   985.000  1.221
   70    71   390.000  1.470
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   390.000  1.470
   80    81   985.000  1.221
   81    82   390.000  1.470
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    55    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    55    49    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    57    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  118.96000
   37    43    45    65.00000  116.34900
   43    37    38    80.00000  123.72100
   43    44    49    65.00000  118.96000
   43    44    51    70.00000  124.00000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    35.00000  109.50000
   44    49    50    80.00000  123.72100
   44    49    55    65.00000  118.62400
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    57    63.00000  111.10000
   55    33    37    63.00000  111.10000
   55    49    50    80.00000  120.40000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    30.00000  179.48800
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  108.50000
   69    66    68    35.00000  108.50000
   69    70    71    30.00000  179.48800
   70    71    72    35.00000  108.50000
   70    71    73    35.00000  108.50000
   70    71    74    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    30.00000  179.48800
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  108.50000
   80    77    79    35.00000  108.50000
   80    81    82    30.00000  179.48800
   81    82    83    35.00000  108.50000
   81    82    84    35.00000  108.50000
   81    82    85    90.00000  111.78800
   82    85    86    55.00000  108.50000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   51    44    49    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    43    44    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    55    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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
   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    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    55    49   0.56750  1.0 1.0
   29    33    55    49  -0.07550 -1.0 2.0
   29    33    55    49   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.44750  1.0 1.0
   29    33    55    57  -0.17800 -1.0 2.0
   29    33    55    57   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.33500  1.0 1.0
   33    37    43    44   1.06600 -1.0 2.0
   33    37    43    44  -0.14000  1.0 3.0
   33    37    43    45   0.25700  1.0 1.0
   33    37    43    45   0.66200 -1.0 2.0
   33    37    43    45   0.04450  1.0 3.0
   33    55    57    58   0.15000  1.0 3.0
   33    55    57    59   0.15000  1.0 3.0
   33    55    57    60   0.56750  1.0 1.0
   33    55    57    60  -0.07550 -1.0 2.0
   33    55    57    60   0.20000  1.0 3.0
   37    33    55    49   0.11950  1.0 1.0
   37    33    55    49   0.20300 -1.0 2.0
   37    33    55    49  -0.70800  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    57  -0.95700  1.0 1.0
   37    33    55    57  -0.18200 -1.0 2.0
   37    33    55    57   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -44    49   7.00000 -1.0 2.0
   37    43    44    51   7.00000 -1.0 2.0
   37    43    45    46   0.15000  1.0 3.0
   37    43    45    47   0.15000  1.0 3.0
   37    43    45    48   0.15000  1.0 3.0
   38    37    43    44   1.00000 -1.0 2.0
   38    37    43    45  -0.64400  1.0 1.0
   38    37    43    45   0.26850 -1.0 2.0
   43    44    49    50   1.00000 -1.0 2.0
   43    44    49    55  -0.33500  1.0 1.0
   43    44    49    55   1.06600 -1.0 2.0
   43    44    49    55  -0.14000  1.0 3.0
   43    44    51    52   0.00000  1.0 1.0
   43    44    51    53   0.00000  1.0 1.0
   43    44    51    54   0.00000  1.0 1.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -55    33   0.65300  1.0 1.0
   44    49   -55    33  -0.03850 -1.0 2.0
   44    49   -55    33   0.33900  1.0 3.0
   44    49    55    56   0.00000  1.0 1.0
   44    49    55    57   0.65300  1.0 1.0
   44    49    55    57  -0.03850 -1.0 2.0
   44    49    55    57   0.33900  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    54   0.15000  1.0 3.0
   49    55    57    58  -0.11250  1.0 3.0
   49    55    57    59  -0.11250  1.0 3.0
   49    55    57    60  -0.95700  1.0 1.0
   49    55    57    60  -0.18200 -1.0 2.0
   49    55    57    60   0.29450  1.0 3.0
   50    49    55    33   0.30150 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.30150 -1.0 2.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33   -37    43   0.65300  1.0 1.0
   55    33   -37    43  -0.03850 -1.0 2.0
   55    33   -37    43   0.33900  1.0 3.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    41   0.15000  1.0 3.0
   55    33    39    42   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    62   0.15000  1.0 3.0
   55    57    60    63   0.56750  1.0 1.0
   55    57    60    63  -0.07550 -1.0 2.0
   55    57    60    63   0.20000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69  -0.74000  1.0 1.0
   60    63    66    69   0.24050 -1.0 2.0
   60    63    66    69   0.24650  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   69    70    71    72   0.00000  1.0 1.0
   69    70    71    73   0.00000  1.0 1.0
   69    70    71    74   0.00000  1.0 1.0
   70    71    74    75   0.15000  1.0 3.0
   70    71    74    76   0.15000  1.0 3.0
   70    71    74    77  -0.74000  1.0 1.0
   70    71    74    77   0.24050 -1.0 2.0
   70    71    74    77   0.24650  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80  -0.74000  1.0 1.0
   71    74    77    80   0.24050 -1.0 2.0
   71    74    77    80   0.24650  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.00000  1.0 1.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   80    81    82    83   0.00000  1.0 1.0
   80    81    82    84   0.00000  1.0 1.0
   80    81    82    85   0.00000  1.0 1.0
   81    82    85    86   0.35600  1.0 1.0
   81    82    85    86  -0.10750 -1.0 2.0
   81    82    85    86  -0.54400  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   51    44    49    50  -0.64400  1.0 1.0
   51    44    49    50   0.26850 -1.0 2.0
   51    44    49    55   0.25700  1.0 1.0
   51    44    49    55   0.66200 -1.0 2.0
   51    44    49    55   0.04450  1.0 3.0
   45    43    44    49   7.00000 -1.0 2.0
   45    43    44    51   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    55    49  -0.95700  1.0 1.0
   39    33    55    49  -0.18200 -1.0 2.0
   39    33    55    49   0.29450  1.0 3.0
   39    33    55    56   0.15000  1.0 3.0
   39    33    55    57   0.56750  1.0 1.0
   39    33    55    57  -0.07550 -1.0 2.0
   39    33    55    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   37    45    43    44   1.10000 -1.0 2.0
   49    51    44    43   1.10000 -1.0 2.0
   44    55    49    50  10.50000 -1.0 2.0
END
