* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    255     463
    1     0 S   NP   _N1_     1    28.68436    96.68848   -21.09847
    2     1 S   H    _HN1     2     1.02836    43.36304   158.16622
    3     1 S   H    _H1_     3     1.02780    88.51857   -83.48743
    4     1 S   H    _H2_     4     1.02957    77.33960    25.66403
    5     1 S   CT   _CA1     5     1.50119   152.65916   135.76480
    6     5 S   HC   _HA1     6     1.09576   105.22226    75.40520
    7     5 S   CO3  _C1_     7     1.53777   112.36344   -44.80205
    8     7 S   O2Z  _O11     8     1.26362   115.00273   -44.57761
    9     7 S   O2Z  _O12     9     1.26236   114.91397   134.53855
   10     5 S   CT   _CB1    10     1.53087   107.42732  -166.70168
   11    10 S   HC   HB11    11     1.09828   109.32056   -50.72588
   12    10 S   HC   HB12    12     1.09818   110.43225    65.81945
   13    10 S   CT   _CG1    13     1.53021   112.67968  -171.80432
   14    13 S   HC   HG11    14     1.09593   110.48925   -64.34060
   15    13 S   HC   HG12    15     1.09655   109.94523    54.89565
   16    13 S   C    _CD1    16     1.51818   112.26877   175.24799
   17    16 S   O    _OE1    17     1.22738   123.25745     0.23573
   18    16 S   N    _N2_    18     1.38647   111.69976  -179.66312
   19    18 S   H    _HN2    19     1.01589   119.09449     0.86094
   20    18 S   CT1  _CA2    20     1.46126   123.29290   179.40422
   21    20 S   HC   _HA2    21     1.09752   109.28520    -5.14955
   22    20 S   C    _C2_    22     1.53496   108.93433  -120.60657
   23    22 S   O    _O2_    23     1.23050   122.06904  -148.85200
   24    20 S   CT   _CB2    32     1.53487   111.71361   116.64020
   25    24 S   HC   HB21    33     1.09565   109.75015    55.86437
   26    24 S   HC   HB22    34     1.09378   109.69047   174.56772
   27    22 S   N    _N3_    24     1.38450   113.60758    38.88595
   28    27 S   H    _HN3    25     1.01497   118.97424    -0.93691
   29    24 S   S    _SG2    35     1.83729   111.25868   -64.86232
   30    27 S   CT   _CA3    26     1.45438   123.40082   174.55522
   31    30 S   HC   HA31    27     1.09525   109.20767    25.76648
   32    30 S   HC   HA32    28     1.09493   107.15983   142.79572
   33    29 S   CT   _C18    36     1.87998   102.08343  -168.75292
   34    33 S   OM   _O37    37     1.32407   106.74731   -54.42337
   35    30 S   CO3  _C3_    29     1.52926   113.01737   -97.65264
   36    35 S   O2Z  _O31    30     1.26409   115.37081   -45.38355
   37    35 S   O2Z  _O32    31     1.26347   115.00639   135.47995
   38    33 S   CT   _C19    38     1.56368   108.90041  -169.75132
   39    38 S   HC   _H5_    39     1.10314   108.69912    67.56099
   40    33 S   CT   _C17    71     1.56496   113.43558    64.65454
   41    40 S   HC   _H4_    72     1.09851   110.65472   -80.98097
   42    38 S   CO4  _C20    40     1.53442   112.89992  -176.94828
   43    42 S   O    _O33    41     1.23492   120.02144  -162.27532
   44    40 S   NP   _N5_    73     1.50704   110.38792    32.95178
   45    44 S   H    _H17    74     1.03093   111.29345    64.50552
   46    44 S   H    _H18    75     1.02808   110.75678   -53.92712
   47    44 S   H    _H19    76     1.02747   112.33081  -174.24211
   48    38 S   C    _C23    79     1.53287   113.63060   -52.30603
   49    48 S   O    _O36    80     1.22897   123.17675   -60.11665
   50    42 S   CT   _C21    42     1.52764   118.81560    19.65164
   51    48 S   N    _N4_    81     1.37485   114.06267   121.04233
   52    51 S   H    _H15    82     1.01439   122.83160    -1.07009
   53    51 S   H    _H16    83     1.01397   120.38074   179.48833
   54    50 S   CO4  _C22    43     1.51716   114.28107   -97.18349
   55    54 S   O    _O34    44     1.23017   120.54718   -32.70656
   56    50 S   OH   _O35    77     1.43397   105.96568   149.51214
   57    56 S   HO   _H14    78     0.97465   107.56402    55.01044
   58    54 S   CA   _C13    45     1.49987   119.29381   150.54513
   59    58 S   CA   _C14    46     1.40456   119.73859     6.42501
   60    58 S   CA   _C12    57     1.40923   120.61621  -174.39671
   61    59 S   CA   _C5_    47     1.42027   119.28522   174.47518
   62    60 S   OH   _O38    58     1.37673   120.57124     2.04229
   63    62 S   HO   _H20    59     0.97233   110.00127     0.09065
   64    59 S   CT   _C15    66     1.51483   120.34616    -3.96482
   65    64 S   HC   _H12    67     1.09738   108.01879    95.51212
   66    64 S   HC   _H13    68     1.09557   110.53965  -147.43782
   67    61 S   CA   _C6_    48     1.43071   120.68149     7.08239
   68    61 S   CT   _C4_    62     1.51757   119.67427  -174.42107
   69    68 S   HC   _H6_    63     1.09410   110.06582   -96.44700
   70    68 S   HC   _H7_    64     1.09359   112.47186    25.30948
   71    68 S   HC   _H8_    65     1.09454   111.34456   141.64586
   72    50 S   CT   _C16    69     1.52180   110.73138    32.38679
   73    72 S   HC   _H3_    70     1.10049   106.86524    65.37435
   74    67 S   CA   _C7_    49     1.41860   122.09717   174.56758
   75    74 S   HA   _H9_    50     1.08771   121.07859    -1.35624
   76    74 S   CA   _C8_    51     1.39353   122.73523   179.50465
   77    76 S   HA   _H10    52     1.08601   120.09050  -180.00000
   78    76 S   CA   _C9_    53     1.38077   119.58963     0.17583
   79    78 S   HA   _H11    54     1.08597   119.46034  -179.95154
   80    78 S   CA   _C10    55     1.39551   119.30423     0.38967
   81    67 S   CA   _C11    56     1.42021   119.89452    -4.99430
   82    80 S   OH   _O39    60     1.37453   117.27336   179.62885
   83    82 S   HO   _H21    61     0.97159   109.41430    -0.25179
  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  16   8  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  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    72    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    64    72    73    40    41    44    45    46    47    48    49    51  
   38    39    42    72    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    72    40    41    44    56    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    56    48    42    50    54    59    64    65    66    72    73  
   44    45    46    47    50    64    72    73  
   43    50    54    55    58    64    72    73    56    57    48    49    51  
   50    54    72    56    48  
   45    46    47    50    64    72    73  
   46    47    72  
   47    72  
   72  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    60    64    65    66    72    73    56    57  
   52    53  
   53  
    0  
   55    58    59    61    81    60    62    64    72    73    56    57  
   58    59    60    72    56  
   57    58    64    72    73  
   72  
   59    61    67    80    81    60    62    63    68    64    65    66    72  
   61    67    74    81    60    62    68    69    70    71    64    65    66    72    73  
   62    63    82    64    61    67    74    78    80    81  
   67    74    75    76    80    81    68    69    70    71    64    65    66    72  
   63    67    80    81  
   81  
   65    66    72    73    67    68  
   66    72    73  
   72    73  
   74    75    76    77    78    80    81    82    68    69    70    71  
   69    70    71    74    81  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    81  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   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  -0.175000   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   0.250000   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  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   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    48   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    54   317.000  1.522
   50    72   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    60   469.000  1.400
   59    61   469.000  1.400
   59    64   317.000  1.510
   61    67   469.000  1.400
   61    68   317.000  1.510
   67    74   469.000  1.400
   67    81   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    60   469.000  1.400
   60    62   450.000  1.364
   62    63   553.000  0.945
   82    83   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   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    48    63.00000  111.10000
   33    40    72    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    50    70.00000  116.00000
   38    48    49    80.00000  120.40000
   38    48    51    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    50    54    75.00000  107.99600
   42    50    72    63.00000  111.10000
   42    50    56    90.00000  109.61100
   50    42    43    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    72    64    58.35000  112.70000
   50    72    73    37.50000  110.70000
   50    72    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    60    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    61    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    81    63.00000  120.00000
   58    60    62    70.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    68    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    72    70.00000  112.17500
   61    67    74    63.00000  120.00000
   61    67    81    63.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   67    81    80    63.00000  120.00000
   67    81    60    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    60    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    67    74    63.00000  120.00000
   81    60    62    70.00000  120.00000
   60    58    59    63.00000  120.00000
   60    62    63    35.00000  113.00000
   82    80    81    70.00000  120.00000
   68    61    67    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    59    61    70.00000  120.00000
   64    72    73    37.50000  110.70000
   64    72    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    50    54    63.00000  111.10000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    40    41    37.50000  110.70000
   72    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    72    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    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    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   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    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    51   1.39750  1.0 1.0
   33    38    48    51  -0.07950 -1.0 2.0
   33    38    48    51  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    46   0.17350  1.0 3.0
   33    40    44    47   0.17350  1.0 3.0
   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    48  -0.09450  1.0 1.0
   34    33    38    48  -1.12950 -1.0 2.0
   34    33    38    48   0.54000  1.0 3.0
   34    33    40    72   0.62750  1.0 1.0
   34    33    40    72  -0.30950 -1.0 2.0
   34    33    40    72   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    72   0.56750  1.0 1.0
   38    33    40    72  -0.07550 -1.0 2.0
   38    33    40    72   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    50    54   0.65300  1.0 1.0
   38    42    50    54  -0.03850 -1.0 2.0
   38    42    50    54   0.33900  1.0 3.0
   38    42   -50    72   0.60050  1.0 1.0
   38    42   -50    72   0.05600 -1.0 2.0
   38    42   -50    72   0.26150  1.0 3.0
   38    42    50    56   0.55300  1.0 1.0
   38    42    50    56   1.25850 -1.0 2.0
   38    42    50    56  -0.23600  1.0 3.0
   38    48    51    52   2.45000 -1.0 2.0
   38    48    51    53   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    51   0.00000  1.0 1.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    72    64  -0.95700  1.0 1.0
   42    50    72    64  -0.18200 -1.0 2.0
   42    50    72    64   0.29450  1.0 3.0
   42    50    72    73  -0.11250  1.0 3.0
   42    50    72    40  -0.95700  1.0 1.0
   42    50    72    40  -0.18200 -1.0 2.0
   42    50    72    40   0.29450  1.0 3.0
   42    50    56    57   0.91850  1.0 1.0
   42    50    56    57   0.57950  1.0 3.0
   43    42    50    54   0.30150 -1.0 2.0
   43    42    50    72   0.30150 -1.0 2.0
   43    42    50    56   0.30150 -1.0 2.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    60   2.26350  1.0 1.0
   50    54    58    60   0.76750 -1.0 2.0
   50    54    58    60   0.22500  1.0 3.0
   50    72   -40    33   0.56750  1.0 1.0
   50    72   -40    33  -0.07550 -1.0 2.0
   50    72   -40    33   0.20000  1.0 3.0
   50    72    40    41   0.15000  1.0 3.0
   50    72    40    44   1.36600  1.0 1.0
   50    72    40    44  -0.11450 -1.0 2.0
   50    72    40    44   0.24250  1.0 3.0
   54    50    72    64  -0.95700  1.0 1.0
   54    50    72    64  -0.18200 -1.0 2.0
   54    50    72    64   0.29450  1.0 3.0
   54    50    72    73  -0.11250  1.0 3.0
   54    50    72    40  -0.95700  1.0 1.0
   54    50    72    40  -0.18200 -1.0 2.0
   54    50    72    40   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58   -59    64   3.62500 -1.0 2.0
   54    58    60    81   3.62500 -1.0 2.0
   54    58    60    62   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    60   1.05000 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    68   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    72   0.04150 -1.0 2.0
   58    60    62    63   0.84100 -1.0 2.0
   59    58    60    81   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   59    61    67    74   3.62500 -1.0 2.0
   59    61   -67    81   3.62500 -1.0 2.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    64   -72    50  -0.03700  1.0 1.0
   59    64   -72    50   0.37200 -1.0 2.0
   59    64   -72    50  -0.47300  1.0 3.0
   59    64    72    73   0.43200  1.0 3.0
   59    64    72    40  -0.03700  1.0 1.0
   59    64    72    40   0.37200 -1.0 2.0
   59    64    72    40  -0.47300  1.0 3.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   61    59    64    72   0.04150 -1.0 2.0
   61    67    74    75   3.62500 -1.0 2.0
   61    67    74    76   3.62500 -1.0 2.0
   61    67    81    80   3.62500 -1.0 2.0
   61    67    81    60   3.62500 -1.0 2.0
   67    61    68    69   0.00000  1.0 1.0
   67    61    68    70   0.00000  1.0 1.0
   67    61    68    71   0.00000  1.0 1.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74    76    78   3.62500 -1.0 2.0
   67    81   -60    58   3.62500 -1.0 2.0
   67    81    60    62   3.62500 -1.0 2.0
   74    67    81    80   3.62500 -1.0 2.0
   74    67    81    60   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -81    67   3.62500 -1.0 2.0
   78    80    81    60   3.62500 -1.0 2.0
   78    80    82    83   0.84100 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81    60    58   3.62500 -1.0 2.0
   80    81    60    62   3.62500 -1.0 2.0
   81    67    74    75   3.62500 -1.0 2.0
   81    67   -74    76   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    60    62    63   0.84100 -1.0 2.0
   60    58   -59    61   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   82    80    81    67   3.62500 -1.0 2.0
   82    80    81    60   3.62500 -1.0 2.0
   68    61    67    74   3.62500 -1.0 2.0
   68    61    67    81   3.62500 -1.0 2.0
   64    59    61    67   3.62500 -1.0 2.0
   64    59    61    68   3.62500 -1.0 2.0
   64    72    40    33   0.56750  1.0 1.0
   64    72    40    33  -0.07550 -1.0 2.0
   64    72    40    33   0.20000  1.0 3.0
   64    72    40    41   0.15000  1.0 3.0
   64    72    40    44   1.36600  1.0 1.0
   64    72    40    44  -0.11450 -1.0 2.0
   64    72    40    44   0.24250  1.0 3.0
   65    64    72    50   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    40   0.15000  1.0 3.0
   66    64    72    50   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    40   0.15000  1.0 3.0
   72    50    54    55   0.30150 -1.0 2.0
   72    50   -54    58   0.05850 -1.0 2.0
   72    50   -54    58   0.17250  1.0 3.0
   72    50    56    57  -0.11600  1.0 1.0
   72    50    56    57  -0.09450 -1.0 2.0
   72    50    56    57   0.21250  1.0 3.0
   72    40    44    45   0.17350  1.0 3.0
   72    40    44    46   0.17350  1.0 3.0
   72    40    44    47   0.17350  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.15000  1.0 3.0
   73    72    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    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    72    64   0.86500  1.0 1.0
   56    50    72    64  -0.17500 -1.0 2.0
   56    50    72    64   0.20800  1.0 3.0
   56    50    72    73   0.23400  1.0 3.0
   56    50    72    40   0.86500  1.0 1.0
   56    50    72    40  -0.17500 -1.0 2.0
   56    50    72    40   0.20800  1.0 3.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.65300  1.0 1.0
   48    38    42    50  -0.03850 -1.0 2.0
   48    38    42    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   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    50    42    43  10.50000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    60    58    54   4.00000 -1.0 2.0
   61    64    59    58   4.00000 -1.0 2.0
   67    68    61    59   4.00000 -1.0 2.0
   74    81    67    61   4.00000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   80    60    81    67   4.00000 -1.0 2.0
   81    62    60    58   4.00000 -1.0 2.0
   38    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
