* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    147    236     429
    1     0 S   NP   _N1_     1    28.82229    94.94087   -19.98347
    2     1 S   H    _HN1     2     1.02962    86.91970    38.83026
    3     1 S   H    _H1_     3     1.02829    35.82595   163.90094
    4     1 S   H    _H2_     4     1.02775    87.26602   -69.76988
    5     1 S   CT   _CA1     5     1.50179   146.51055   162.20902
    6     5 S   HC   _HA1     6     1.09584   105.10627    60.14019
    7     5 S   CO3  _C1_     7     1.53760   112.49271   -59.70900
    8     7 S   O2Z  _O11     8     1.26355   114.99457   -38.91034
    9     7 S   O2Z  _O12     9     1.26213   114.93861   140.04469
   10     5 S   CT   _CB1    10     1.53103   107.34656   177.87514
   11    10 S   HC   HB11    11     1.09821   109.02744   -50.76863
   12    10 S   HC   HB12    12     1.09800   110.51675    65.66663
   13    10 S   CT   _CG1    13     1.52997   112.83378  -171.91480
   14    13 S   HC   HG11    14     1.09518   110.43608   -68.24240
   15    13 S   HC   HG12    15     1.09676   109.92878    50.85236
   16    13 S   C    _CD1    16     1.51877   112.42618   170.79820
   17    16 S   O    _OE1    17     1.22726   123.27939    -1.85762
   18    16 S   N    _N2_    18     1.38581   111.65238   178.93339
   19    18 S   H    _HN2    19     1.01625   118.87762    -1.49423
   20    18 S   CT1  _CA2    20     1.46293   123.53474   175.53775
   21    20 S   HC   _HA2    21     1.09750   109.33965   -10.54098
   22    20 S   C    _C2_    22     1.53470   108.04229  -125.63241
   23    22 S   O    _O2_    23     1.23019   122.50326  -147.27094
   24    20 S   CT   _CB2    32     1.53319   111.57936   111.96627
   25    24 S   HC   HB21    33     1.09255   109.54728    53.25310
   26    24 S   HC   HB22    34     1.09526   110.51739   171.11931
   27    22 S   N    _N3_    24     1.38408   113.38451    40.35933
   28    27 S   H    _HN3    25     1.01641   119.48324    -3.84939
   29    24 S   S    _SG2    35     1.83090   110.98808   -70.94005
   30    27 S   CT   _CA3    26     1.45281   123.13304   176.87075
   31    30 S   HC   HA31    27     1.09552   107.58408   -62.48655
   32    30 S   HC   HA32    28     1.09557   107.88502    53.91843
   33    29 S   CT   _C7_    36     1.89135   103.00702   139.75279
   34    30 S   CO3  _C3_    29     1.52931   114.12197   175.86824
   35    34 S   O2Z  _O31    30     1.26368   116.04845    -0.25101
   36    34 S   O2Z  _O32    31     1.26428   114.41530   179.78694
   37    33 S   CT   _C8_    37     1.56626   105.60851   176.36256
   38    37 S   HC   _H12    38     1.09662   109.06351  -163.21423
   39    37 S   HC   _H13    39     1.09756   110.76243   -47.75890
   40    33 S   CM   _C6_    74     1.53257   104.97599    57.32927
   41    40 S   HC   _H11    75     1.09021   115.26419   -77.60127
   42    37 S   S    _S1_    40     1.83914   120.45191    76.99488
   43    40 S   CM   _C5_    76     1.34325   127.94136   103.76028
   44    43 S   HC   _H10    77     1.08523   120.84691    -1.15386
   45    42 S   C4T  _C9_    41     1.80772    99.57996    -2.73373
   46    45 S   HC   _H3_    42     1.09465   114.15793   -83.64250
   47    43 S   CT   _C4_    78     1.49429   123.53133   179.12307
   48    47 S   HC   _H7_    79     1.09427   109.85508  -120.52142
   49    47 S   HC   _H8_    80     1.09453   112.40235    -0.06256
   50    47 S   HC   _H9_    81     1.09428   109.86284   120.40003
   51    45 S   C4T  _C10    43     1.55211   117.95451   141.88150
   52    51 S   HC   _H4_    44     1.09510   113.79923   130.12046
   53    45 S   N4   _N4_    47     1.44906   109.84467    44.71463
   54    51 S   C4   _C11    45     1.55372    84.94456  -117.62843
   55    54 S   O    _O33    46     1.20855   136.73159  -176.58849
   56    33 S   CT1  _C12    48     1.56088   111.29680   -63.18997
   57    56 S   HC   _H5_    49     1.09570   111.95040    49.64620
   58    51 S   N    _N5_    53     1.47771   117.69035    -3.64191
   59    58 S   H    _H14    54     1.01732   118.99374   -83.33557
   60    56 S   CO3  _C13    50     1.55393   110.50152   167.46968
   61    60 S   O2Z  _O35    51     1.26324   116.23693    77.54378
   62    60 S   O2Z  _O34    52     1.26557   114.50630  -102.84534
   63    58 S   C    _C14    55     1.38968   122.51019    92.94434
   64    63 S   O    _O36    56     1.22965   124.00698     2.35925
   65    63 S   CT1  _C15    57     1.52966   112.33527  -176.29033
   66    65 S   HC   _H6_    58     1.09740   108.37622   -36.60771
   67    65 S   CA   _C16    59     1.51550   110.53269    83.82604
   68    65 S   NT   _N6_    71     1.46696   108.79665  -152.60404
   69    68 S   H    _H20    72     1.01923   109.34224   174.68765
   70    68 S   H    _H21    73     1.01948   109.44021    58.73232
   71    67 S   CA   _C17    60     1.40376   119.90774  -111.06485
   72    71 S   HA   _H15    61     1.08738   120.48503    -1.14227
   73    71 S   CA   _C18    62     1.39580   120.64384   178.40873
   74    73 S   HA   _H16    63     1.08625   119.83613  -179.84174
   75    73 S   CA   _C19    64     1.39110   119.65860    -0.13417
   76    75 S   CA   _C20    65     1.39199   120.74066    -0.03426
   77    76 S   HA   _H17    66     1.08591   121.03466  -179.73312
   78    75 S   OH   _O37    69     1.36622   118.19884  -179.91153
   79    78 S   HO   _H19    70     0.97236   108.52937   179.50742
   80    67 S   CA   _C21    67     1.40519   121.34833    66.97197
   81    80 S   HA   _H18    68     1.08775   120.30300     1.17053
  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  13   5   4  12   4   8   6   4  12   6   3   2
   1   1  10   6   8   7   2   4   3   7   3   2   1   1   9   4
  11   6  12   4   1   1   8   4   7   3   6   5   3   2   1   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    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    56    57    60    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    54    53    56    57    60    61    62    40    41    43    44    47  
   35    36  
   36  
    0  
   38    39    42    45    46    51    53    56    57    60    40    41    43  
   39    42    45    56    40  
   42    45    56    40  
   41    43    44    47    48    49    50    42    53    56    57    60  
   43    44    47    56  
   45    46    51    52    54    53    56    58  
   44    47    48    49    50    56  
   47    48    49    50  
   46    51    52    54    55    53    56    57    60    58    59    63  
   51    52    54    53    56    58  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    53    56    58    59    63    64    65  
   54    55    53    58    59    63  
   56    57    60    61    62    58    54    55  
   55    56    57    60    58    59    63  
   56    58  
   57    60    61    62  
   60    61    62  
   59    63    64    65    66    67    68  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    71    80    68    69    70  
   65    66    67    68  
   66    67    71    72    73    76    80    81    68    69    70  
   67    71    80    68    69    70  
   71    72    73    74    75    76    77    80    81    68    69    70  
   69    70    71    80  
   70  
    0  
   72    73    74    75    76    80    81    78  
   73    74    75    80  
   74    75    76    77    80    78    79  
   75    76    78  
   76    77    80    81    78    79  
   77    80    81    78    79  
   80    81    78  
   79    80  
    0  
   81  
    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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   268.000  1.529
   33    56   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    45   200.000  1.824
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   305.000  1.456
   51    52   340.000  1.090
   51    54   250.000  1.540
   51    58   337.000  1.449
   54    55   930.000  1.212
   54    53   440.000  1.369
   53    56   337.000  1.449
   56    57   340.000  1.090
   56    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   275.000  1.474
   65    68   305.000  1.457
   67    71   469.000  1.400
   67    80   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   78    79   553.000  0.945
   68    69   434.000  1.010
   68    70   434.000  1.010
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    56    53    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    60    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    45.00000  109.41400
   42    45    51    65.00000  119.05700
   42    45    53    80.00000  108.62000
   45    51    52    37.50000  110.70000
   45    51    54   100.00000   86.36000
   45    51    58    80.00000  110.05700
   45    53    54   100.00000   93.00000
   45    53    56    50.00000  132.70000
   51    45    46    37.50000  110.70000
   51    54    55    60.00000  136.58000
   51    54    53    95.00000   92.72400
   51    58    59    38.00000  118.40000
   51    58    63    50.00000  121.90000
   54    51    52    40.00000  113.37500
   54    53    56    50.00000  132.10000
   53    45    46    50.00000  112.01000
   53    45    51   105.00000   87.49700
   53    54    55    75.00000  131.60000
   53    56    57    35.00000  109.50000
   53    56    60    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    60    61    70.00000  117.00000
   56    60    62    70.00000  117.00000
   60    56    57    35.00000  109.50000
   62    60    61    80.00000  126.00000
   58    51    52    50.00000  112.01000
   58    51    54    75.00000  110.24000
   58    63    64    80.00000  122.90000
   58    63    65    70.00000  116.60000
   63    58    59    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  102.60000
   63    65    68    75.00000  111.54000
   65    63    64    80.00000  120.40000
   65    67    71    60.00000  125.54000
   65    67    80    60.00000  125.54000
   65    68    69    50.00000  111.55300
   65    68    70    50.00000  111.55300
   67    65    66    45.00000  110.88000
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   67    80    76    63.00000  120.00000
   67    80    81    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   80    67    71    63.00000  120.00000
   80    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
   68    65    66    50.00000  109.55000
   68    65    67    75.00000  112.33000
   70    68    69    43.60000  106.40000
   40    33    37    70.00000  112.02700
   40    33    56    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    47    70.00000  124.00000
   43    40    41    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    56    53   0.71400  1.0 1.0
   29    33    56    53   0.04300 -1.0 2.0
   29    33    56    53   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60  -2.17200  1.0 1.0
   29    33    56    60  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    45  -0.25000 -1.0 2.0
   33    37    42    45  -0.01800  1.0 3.0
   33    56    60    61   0.00000  1.0 1.0
   33    56    60    62   0.00000  1.0 1.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    47   7.00000 -1.0 2.0
   37    33    56    53   0.42250  1.0 1.0
   37    33    56    53  -0.48100 -1.0 2.0
   37    33    56    53   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60  -0.84850  1.0 1.0
   37    33    56    60  -0.22800 -1.0 2.0
   37    33    56    60   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    51   0.25150  1.0 1.0
   37    42    45    51  -1.17200 -1.0 2.0
   37    42    45    51   0.53050  1.0 3.0
   37    42   -45    53   0.01700  1.0 1.0
   37    42   -45    53  -0.23550 -1.0 2.0
   37    42   -45    53   0.21350  1.0 3.0
   38    37    42    45   0.32350  1.0 3.0
   39    37    42    45   0.32350  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    54   0.00000  1.0 1.0
   42    45    51    58   0.00000  1.0 1.0
   42    45   -53    54   0.00000  1.0 1.0
   42    45    53    56   0.00000  1.0 1.0
   45    51    54    55  -0.11250  1.0 1.0
   45    51    54    55   0.11400 -1.0 2.0
   45    51    54    55  -0.28950  1.0 3.0
   45    51   -54    53   3.00000 -1.0 2.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    63  -0.43950  1.0 1.0
   45    51    58    63  -0.08100 -1.0 2.0
   45    51    58    63   0.03350  1.0 3.0
   45    53   -56    33   0.00000  1.0 1.0
   45    53    56    57   0.00000  1.0 1.0
   45    53    56    60   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   46    45    51    58   0.15000  1.0 3.0
   46    45   -53    54   0.00000  1.0 1.0
   46    45    53    56   0.00000  1.0 1.0
   51    45   -53    54   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    54   -53    45   3.00000 -1.0 2.0
   51    54   -53    56   3.00000 -1.0 2.0
   51    58    63    64   3.04450 -1.0 2.0
   51    58    63    65   1.15000  1.0 1.0
   51    58    63    65   3.04450 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   54    51    58    59   0.00000  1.0 1.0
   54    51    58    63  -0.42300  1.0 1.0
   54    51    58    63  -0.07000 -1.0 2.0
   54    51    58    63   0.04150  1.0 3.0
   54    53    56    33   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    60   0.00000  1.0 1.0
   55    54   -53    45   3.00000 -1.0 2.0
   55    54    53    56   3.00000 -1.0 2.0
   53    45   -51    52   0.15000  1.0 3.0
   53    45   -51    54   3.00000 -1.0 2.0
   53    45    51    58   2.20050  1.0 1.0
   53    45    51    58   0.63450 -1.0 2.0
   53    45    51    58  -0.91300  1.0 3.0
   53    56    60    61   0.00000  1.0 1.0
   53    56    60    62   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    42   0.44750  1.0 1.0
   56    33   -37    42  -0.17800 -1.0 2.0
   56    33   -37    42   0.20200  1.0 3.0
   56    33    40    41   0.00000  1.0 1.0
   56    33    40    43   0.09850  1.0 1.0
   56    33    40    43   0.15250 -1.0 2.0
   56    33    40    43  -0.50650  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51   -54    53   0.00000  1.0 1.0
   58    63    65    66   0.00000  1.0 1.0
   58    63    65    67   0.00000  1.0 1.0
   58    63    65    68   0.00000  1.0 1.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.45000 -1.0 2.0
   63    65    67    71   0.04300 -1.0 2.0
   63    65    67    80   0.04300 -1.0 2.0
   63    65    68    69   0.21900  1.0 1.0
   63    65    68    69  -0.24900 -1.0 2.0
   63    65    68    69   0.15200  1.0 3.0
   63    65    68    70   0.21900  1.0 1.0
   63    65    68    70  -0.24900 -1.0 2.0
   63    65    68    70   0.15200  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.30150 -1.0 2.0
   64    63    65    68   0.30150 -1.0 2.0
   65    67    71    72   3.62500 -1.0 2.0
   65    67    71    73   3.62500 -1.0 2.0
   65    67    80    76   3.62500 -1.0 2.0
   65    67    80    81   3.62500 -1.0 2.0
   66    65    67    71   0.00000  1.0 1.0
   66    65    67    80   0.00000  1.0 1.0
   66    65    68    69   0.20000  1.0 3.0
   66    65    68    70   0.20000  1.0 3.0
   67    65    68    69   0.76500  1.0 1.0
   67    65    68    69   0.05700 -1.0 2.0
   67    65    68    69  -0.90900  1.0 3.0
   67    65    68    70   0.76500  1.0 1.0
   67    65    68    70   0.05700 -1.0 2.0
   67    65    68    70  -0.90900  1.0 3.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71    73    75   3.62500 -1.0 2.0
   71    67    80    76   3.62500 -1.0 2.0
   71    67    80    81   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -80    67   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   77    76    80    67   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   80    67    71    72   3.62500 -1.0 2.0
   80    67   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   68    65    67    71   0.18550 -1.0 2.0
   68    65    67    71   0.14000  1.0 3.0
   68    65    67    80   0.18550 -1.0 2.0
   68    65    67    80   0.14000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    56    53   0.21700  1.0 1.0
   40    33    56    53   0.68550 -1.0 2.0
   40    33    56    53  -0.27950  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    60  -0.98800  1.0 1.0
   40    33    56    60   0.48800 -1.0 2.0
   40    33    56    60   0.76800  1.0 3.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    49   0.00000  1.0 1.0
   40    43    47    50   0.00000  1.0 1.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  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
   35    30    34    36  10.50000 -1.0 2.0
   51    53    54    55  10.50000 -1.0 2.0
   56    54    53    45   1.00000 -1.0 2.0
   61    56    60    62  10.50000 -1.0 2.0
   59    63    58    51   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
   71    80    67    65   4.00000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   76    81    80    67   1.10000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   47    44    43    40  15.00000 -1.0 2.0
END
