* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    157    249     466
    1     0 S   NP   _N1_     1    28.48574    93.33617   -24.42372
    2     1 S   H    _HN1     2     1.02837    20.94030  -164.37178
    3     1 S   H    _H1_     3     1.02776   111.47603   -80.32603
    4     1 S   H    _H2_     4     1.02961    86.57946    28.04702
    5     1 S   CT   _CA1     5     1.50122   124.06105   140.42049
    6     5 S   HC   _HA1     6     1.09576   105.22106    77.38055
    7     5 S   CO3  _C1_     7     1.53782   112.43827   -42.78859
    8     7 S   O2Z  _O11     8     1.26356   114.99944   -42.60920
    9     7 S   O2Z  _O12     9     1.26244   114.91804   136.59992
   10     5 S   CT   _CB1    10     1.53108   107.43548  -164.72430
   11    10 S   HC   HB11    11     1.09823   109.28509   -51.03174
   12    10 S   HC   HB12    12     1.09819   110.41690    65.50179
   13    10 S   CT   _CG1    13     1.53014   112.70664  -172.16834
   14    13 S   HC   HG11    14     1.09596   110.41335   -64.45462
   15    13 S   HC   HG12    15     1.09655   109.99042    54.75404
   16    13 S   C    _CD1    16     1.51829   112.37917   175.06990
   17    16 S   O    _OE1    17     1.22716   123.29535    -2.62256
   18    16 S   N    _N2_    18     1.38653   111.63525   177.69013
   19    18 S   H    _HN2    19     1.01582   118.92968     0.96185
   20    18 S   CT1  _CA2    20     1.45974   123.25582   179.69610
   21    20 S   HC   _HA2    21     1.09691   109.63636    -8.53095
   22    20 S   C    _C2_    22     1.53338   108.50402  -124.87454
   23    22 S   O    _O2_    23     1.23118   121.97301  -144.37606
   24    20 S   CT   _CB2    32     1.53237   111.88427   114.13261
   25    24 S   HC   HB21    33     1.09612   109.89285    57.11745
   26    24 S   HC   HB22    34     1.09365   109.22321   175.36874
   27    22 S   N    _N3_    24     1.38333   113.91555    42.39803
   28    27 S   H    _HN3    25     1.01518   119.25875     0.31466
   29    24 S   S    _SG2    35     1.82291   113.27428   -64.21110
   30    27 S   CT   _CA3    26     1.45375   122.57360   177.53812
   31    30 S   HC   HA31    27     1.09587   108.38187    40.75619
   32    30 S   HC   HA32    28     1.09482   107.40634   157.48771
   33    29 S   CT   _C10    36     1.84441    99.10135   179.09778
   34    33 S   HC   _H3_    37     1.09561   106.06218   -41.24772
   35    30 S   CO3  _C3_    29     1.52881   113.34949   -82.15608
   36    35 S   O2Z  _O31    30     1.26362   115.33805   -50.45973
   37    35 S   O2Z  _O32    31     1.26363   114.93694   130.23148
   38    33 S   CA   _C7_    38     1.52060   110.04668  -157.20701
   39    33 S   CT   _C11    49     1.53896   110.57239    77.13565
   40    39 S   HC   _H10    50     1.09799   111.08221    69.20581
   41    39 S   HC   _H11    51     1.09369   112.99941   -48.08640
   42    38 S   CA   _C6_    39     1.40452   119.55352   112.23313
   43    42 S   HA   _H7_    40     1.08740   120.50860    -0.10835
   44    39 S   C    _C12    52     1.52451   111.85106  -171.06807
   45    44 S   O    _O33    53     1.23666   118.17731  -102.93541
   46    42 S   CA   _C5_    41     1.39628   120.77460   179.78330
   47    46 S   HA   _H6_    42     1.08629   119.93319  -179.93744
   48    44 S   N    _N4_    54     1.40474   118.97694    76.41896
   49    46 S   CA   _C4_    43     1.39257   120.09438     0.08156
   50    49 S   HA   _H5_    44     1.08605   120.06901   179.97202
   51    48 S   CM   _C17    55     1.39157   125.21999     7.37876
   52    51 S   HC   _H18    56     1.07948   116.50165     1.12779
   53    49 S   CA   _C9_    45     1.39264   119.87272     0.06853
   54    53 S   HA   _H9_    46     1.08630   119.97960   179.86583
   55    51 S   CM   _C16    57     1.34805   124.05565   179.38134
   56    38 S   CA   _C8_    47     1.40450   122.04988   -67.77661
   57    56 S   HA   _H8_    48     1.08712   120.65583     0.44806
   58    55 S   CT   _C15    58     1.51307   120.81390     2.92382
   59    58 S   HC   _H16    59     1.09619   110.49331   139.23036
   60    58 S   HC   _H17    60     1.09661   108.91541  -103.14675
   61    55 S   CT   _C18    67     1.51992   124.49125  -177.66351
   62    61 S   HC   _H4_    68     1.09765   108.00016  -142.32177
   63    58 S   CT   _C14    61     1.52281   111.87030    18.63346
   64    63 S   HC   _H14    62     1.09788   109.38619    74.41918
   65    63 S   HC   _H15    63     1.09549   110.17084  -168.09290
   66    61 S   CT   _C19    69     1.53535   111.71892    96.91904
   67    66 S   HC   _H19    70     1.09672   110.35592    56.35831
   68    66 S   HC   _H20    71     1.09819   110.00641   -61.07473
   69    48 S   CT   _C13    64     1.47104   116.89185  -178.46788
   70    69 S   HC   _H12    65     1.09582   109.97575    28.93048
   71    69 S   HC   _H13    66     1.09734   107.13943   -87.17236
   72    66 S   CT   _C20    72     1.52954   111.82209   177.48783
   73    72 S   HC   _H21    73     1.09710   109.22130   -67.75693
   74    72 S   HC   _H22    74     1.09581   109.69712   175.38442
   75    72 S   CT   _C21    75     1.52623   111.87109    53.37360
   76    75 S   HC   _H23    76     1.09697   109.24168    68.40813
   77    75 S   HC   _H24    77     1.09564   109.69258  -174.78335
   78    75 S   CT   _C22    78     1.51978   111.55808   -53.06050
   79    78 S   HC   _H25    79     1.09350   111.73508   173.36954
   80    78 S   HC   _H26    80     1.09491   112.27315   -63.69736
   81    61 S   NP   _N5_    81     1.50932   115.27904   -26.43575
   82    81 S   H    _H27    82     1.03027   110.43450    63.75231
   83    81 S   H    _H28    83     1.02866   109.29224   -52.70954
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   9   3   6   3  11
   5   3  13   4   3   2  17   1   1  12   6   5  15   8   5   4
   3  12   6   5   2   1   1   9   5   4   8   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    56    57    39    40    41    44    45    48  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    53    54    56    57    39    40    41    44  
   40    41    44    45    48    51    69    42    56  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    53    56    57  
   46    47    49    56  
   45    48    51    52    55    63    69    70    71  
   48    51    69  
   47    49    50    53    54    56  
   49    50    53  
   51    52    55    58    63    64    65    69    70    71    61  
   50    53    54    56    57  
   53    54    56  
   52    55    58    59    60    63    69    70    71    61    62    66    81  
   55    58    69    61  
   54    56    57  
   56    57  
   58    59    60    63    64    65    69    61    62    66    67    68    72    78    81    82    83  
   57  
    0  
   59    60    63    64    65    69    70    71    61    62    66    81  
   60    63    64    65    69    61  
   63    64    65    69    61  
   62    66    67    68    72    73    74    75    78    79    80    81    82    83    63  
   66    67    68    72    78    81    82    83  
   64    65    69    70    71  
   65    69    70    71  
   69    70    71  
   67    68    72    73    74    75    76    77    78    81    82    83  
   68    72    73    74    75    81  
   72    73    74    75    81  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.188200   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.310000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    51   400.000  1.384
   48    69   337.000  1.449
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    58   317.000  1.510
   55    61   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    81   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   367.000  1.471
   81    82   434.000  1.010
   81    83   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    56    53    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   56    38    42    63.00000  120.00000
   56    53    54    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    70.00000  120.89900
   44    48    69    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    45.00000  111.09300
   48    51    55    75.00000  120.83300
   48    69    63    70.00000  110.72300
   48    69    70    35.00000  109.50000
   48    69    71    35.00000  109.50000
   51    55    58    70.00000  124.00000
   51    55    61    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.02700
   55    61    62    35.00000  109.50000
   55    61    66    70.00000  112.02700
   55    61    81    75.00000  110.06800
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    48    51    70.00000  119.94800
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   61    55    58    65.00000  117.92700
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    81    78    75.00000  113.01200
   61    81    82    35.00000  109.50000
   61    81    83    35.00000  109.50000
   66    61    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    61    62    35.00000  109.50000
   81    61    66    80.00000  111.20000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    56    53   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    56    53   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    56   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53   -56    38   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   54    53    56    38   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    44    48    51   0.67100  1.0 1.0
   39    44    48    51   1.42150 -1.0 2.0
   39    44    48    51   0.18700  1.0 3.0
   39    44    48    69   1.49850  1.0 1.0
   39    44    48    69   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   1.44600  1.0 1.0
   44    48    51    55  -0.18900  1.0 1.0
   44    48    51    55   1.70900 -1.0 2.0
   44    48    69    63  -0.43950  1.0 1.0
   44    48    69    63  -0.08100 -1.0 2.0
   44    48    69    63   0.03350  1.0 3.0
   44    48    69    70   0.00000  1.0 1.0
   44    48    69    71   0.00000  1.0 1.0
   45    44    48    51   2.67200 -1.0 2.0
   45    44    48    69   3.04450 -1.0 2.0
   48    51    55    58   7.00000 -1.0 2.0
   48    51    55    61   7.00000 -1.0 2.0
   51    48    69    63  -0.05900 -1.0 2.0
   51    48    69    70   0.00000  1.0 1.0
   51    48    69    71   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55   -58    63   0.09850  1.0 1.0
   51    55   -58    63   0.15250 -1.0 2.0
   51    55   -58    63  -0.50650  1.0 3.0
   51    55    61    62   0.00000  1.0 1.0
   51    55    61    66   0.09850  1.0 1.0
   51    55    61    66   0.15250 -1.0 2.0
   51    55    61    66  -0.50650  1.0 3.0
   51    55    61    81   0.80850  1.0 1.0
   51    55    61    81  -0.47300 -1.0 2.0
   51    55    61    81  -0.52300  1.0 3.0
   52    51    55    58   7.00000 -1.0 2.0
   52    51    55    61   7.00000 -1.0 2.0
   55    58    63    64   0.15000  1.0 3.0
   55    58    63    65   0.15000  1.0 3.0
   55    58    63    69   0.34400  1.0 1.0
   55    58    63    69   0.09450 -1.0 2.0
   55    58    63    69   0.11100  1.0 3.0
   55    61    66    67   0.15000  1.0 3.0
   55    61    66    68   0.15000  1.0 3.0
   55    61    66    72   0.34400  1.0 1.0
   55    61    66    72   0.09450 -1.0 2.0
   55    61    66    72   0.11100  1.0 3.0
   55    61    81    78   0.08000 -1.0 2.0
   55    61    81    82   0.17350  1.0 3.0
   55    61    81    83   0.17350  1.0 3.0
   58    55    61    62   0.34800  1.0 3.0
   58    55    61    66   0.46850  1.0 1.0
   58    55    61    66   0.08550 -1.0 2.0
   58    55    61    66   0.09800  1.0 3.0
   58    55    61    81   0.52100  1.0 1.0
   58    55    61    81  -0.20350 -1.0 2.0
   58    55    61    81   0.29750  1.0 3.0
   58    63   -69    48   0.43900  1.0 1.0
   58    63   -69    48   0.49100 -1.0 2.0
   58    63   -69    48   0.28400  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    71   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    69   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   69    48    51    52   1.88100 -1.0 2.0
   69    48   -51    55  -0.88150  1.0 1.0
   69    48   -51    55   2.95600 -1.0 2.0
   61    55    58    59   0.34800  1.0 3.0
   61    55    58    60   0.34800  1.0 3.0
   61    55    58    63   0.46850  1.0 1.0
   61    55    58    63   0.08550 -1.0 2.0
   61    55    58    63   0.09800  1.0 3.0
   61    66    72    73   0.15000  1.0 3.0
   61    66    72    74   0.15000  1.0 3.0
   61    66    72    75   0.56750  1.0 1.0
   61    66    72    75  -0.07550 -1.0 2.0
   61    66    72    75   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    72   0.15000  1.0 3.0
   62    61    81    78   0.15000  1.0 3.0
   62    61    81    82   0.13050  1.0 3.0
   62    61    81    83   0.13050  1.0 3.0
   66    61    81    78   0.47100  1.0 1.0
   66    61    81    82   0.17350  1.0 3.0
   66    61    81    83   0.17350  1.0 3.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77   0.15000  1.0 3.0
   66    72   -75    78   0.56750  1.0 1.0
   66    72   -75    78  -0.07550 -1.0 2.0
   66    72   -75    78   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   1.36600  1.0 1.0
   72    75    78    81  -0.11450 -1.0 2.0
   72    75    78    81   0.24250  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78   -81    61   0.47100  1.0 1.0
   75    78    81    82   0.17350  1.0 3.0
   75    78    81    83   0.17350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.19200  1.0 3.0
   79    78    81    61   0.15000  1.0 3.0
   79    78    81    82   0.13050  1.0 3.0
   79    78    81    83   0.13050  1.0 3.0
   80    78    81    61   0.15000  1.0 3.0
   80    78    81    82   0.13050  1.0 3.0
   80    78    81    83   0.13050  1.0 3.0
   81    61    66    67   0.19200  1.0 3.0
   81    61    66    68   0.19200  1.0 3.0
   81    61   -66    72   1.36600  1.0 1.0
   81    61   -66    72  -0.11450 -1.0 2.0
   81    61   -66    72   0.24250  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    56    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   53    57    56    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   69    44    48    51   1.00000 -1.0 2.0
   48    52    51    55   1.10000 -1.0 2.0
   58    61    55    51   1.10000 -1.0 2.0
END
