* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    147    223     434
    1     0 S   NP   _N1_     1    47.69948    95.13050   -14.68609
    2     1 S   H    _HN1     2     1.02794    44.67353  -127.75884
    3     1 S   H    _H1_     3     1.02939   148.01717   -97.50796
    4     1 S   H    _H2_     4     1.02764    77.25415     6.17679
    5     1 S   CT   _CA1     5     1.50066    96.28190   117.77922
    6     5 S   HC   _HA1     6     1.09711   104.38164  -139.90765
    7     5 S   CO3  _C1_     7     1.54178   113.73271   104.99724
    8     7 S   O2Z  _O11     8     1.26165   115.85545  -161.75531
    9     7 S   O2Z  _O12     9     1.26487   114.57686    19.07513
   10     5 S   CT   _CB1    10     1.53237   108.91846   -24.55558
   11    10 S   HC   HB11    11     1.09789   109.20867  -172.54399
   12    10 S   HC   HB12    12     1.09838   109.18398   -57.55419
   13    10 S   CT   _CG1    13     1.53109   114.40640    64.99208
   14    13 S   HC   HG11    14     1.09574   110.55753   -62.19105
   15    13 S   HC   HG12    15     1.09580   110.44252    57.26426
   16    13 S   C    _CD1    16     1.51887   112.17706   177.86448
   17    16 S   O    _OE1    17     1.22756   123.41326     3.54276
   18    16 S   N    _N2_    18     1.38503   111.80938  -177.12683
   19    18 S   H    _HN2    19     1.01652   119.43985     0.25411
   20    18 S   CT1  _CA2    20     1.45782   122.91593  -179.03065
   21    20 S   HC   _HA2    21     1.09787   106.93494   -42.64888
   22    20 S   C    _C2_    22     1.53096   108.70350  -158.50023
   23    22 S   O    _O2_    23     1.22983   122.82290   -13.64665
   24    20 S   CT   _CB2    32     1.53690   112.65762    76.26531
   25    24 S   HC   HB21    33     1.09398   109.78207  -177.77085
   26    24 S   HC   HB22    34     1.09509   109.98083   -59.50612
   27    22 S   N    _N3_    24     1.38406   112.75651   167.20706
   28    27 S   H    _HN3    25     1.01620   120.41243    -2.86444
   29    24 S   S    _SG2    35     1.83126   112.98303    60.55842
   30    27 S   CT   _CA3    26     1.45341   122.62217   178.29120
   31    30 S   HC   HA31    27     1.09567   108.01859   -51.02821
   32    30 S   HC   HA32    28     1.09550   107.48733    65.42195
   33    29 S   CT   _C9_    36     1.84147    99.29794   169.76100
   34    33 S   HC   _H4_    37     1.09665   107.59694    42.79796
   35    30 S   CO3  _C3_    29     1.52912   114.12931  -173.02698
   36    35 S   O2Z  _O31    30     1.26419   114.44078   179.71264
   37    35 S   O2Z  _O32    31     1.26358   116.00236    -0.27483
   38    33 S   CM   _C4_    38     1.50824   106.79799   157.72441
   39    38 S   HC   _H5_    39     1.08729   117.93241   -70.67030
   40    38 S   CM   _C5_    40     1.34075   123.06991   109.84209
   41    40 S   HC   _H6_    41     1.08608   119.40709   179.69999
   42    40 S   CM   _C6_    42     1.44678   121.67156    -0.53668
   43    42 S   CM   _C7_    43     1.34318   120.43550     9.09945
   44    43 S   HC   _H7_    44     1.08773   120.67248   177.52773
   45    42 S   S    _S1_    49     1.73670   118.88888  -173.70786
   46    33 S   CT   _C8_    45     1.55264   110.93528   -77.68636
   47    46 S   HC   _H3_    46     1.09614   111.53654    20.57651
   48    45 S   CT   _C10    50     1.82655    99.49715    80.67874
   49    48 S   HC   _H9_    51     1.09660   108.99605    53.93825
   50    48 S   HC   _H10    52     1.09562   108.10252   -62.79411
   51    46 S   OH   _O33    47     1.43138   109.08328   137.38787
   52    51 S   HO   _H8_    48     0.97248   107.43868   -65.62551
   53    48 S   CT1  _C11    53     1.53276   111.55005   175.79816
   54    53 S   HC   _H11    54     1.09738   110.08254    56.56326
   55    53 S   C    _C12    55     1.53580   110.86393   173.69043
   56    55 S   O    _O34    56     1.23062   122.26402   -25.83433
   57    53 S   N    _N5_    65     1.46212   111.53784   -64.99556
   58    57 S   H    _H15    66     1.01591   117.51620   -58.79821
   59    55 S   N    _N4_    57     1.38324   113.75092   161.68409
   60    59 S   H    _H12    58     1.01576   119.59159    -3.33313
   61    57 S   C    _C15    67     1.38655   123.40897   125.47766
   62    61 S   O    _O37    68     1.22731   125.03082    -2.72232
   63    59 S   CT   _C13    59     1.45288   123.24326   177.13153
   64    63 S   HC   _H13    60     1.09548   107.51637   -64.55968
   65    63 S   HC   _H14    61     1.09556   107.98667    51.89114
   66    61 S   CT   _C16    69     1.51801   111.68157   177.39985
   67    66 S   HC   _H16    70     1.09580   107.68569    65.39427
   68    66 S   HC   _H17    71     1.09671   108.29055   -51.27936
   69    63 S   CO3  _C14    62     1.52969   114.05418   173.88400
   70    69 S   O2Z  _O36    63     1.26426   114.41905   179.45607
   71    69 S   O2Z  _O35    64     1.26381   116.05831    -0.60328
   72    66 S   CT   _C17    72     1.52992   112.21928  -172.60490
   73    72 S   HC   _H18    73     1.09833   108.70282    52.65076
   74    72 S   HC   _H19    74     1.09812   109.23930   -62.89737
   75    72 S   CT   _C18    75     1.53082   112.59523   174.00661
   76    75 S   HC   _H20    76     1.09573   110.71093   -56.25218
   77    75 S   CO3  _C19    77     1.53787   110.46601    66.38477
   78    77 S   O2Z  _O39    78     1.26241   114.94667  -103.36734
   79    77 S   O2Z  _O38    79     1.26372   115.00808    77.48378
   80    75 S   NP   _N6_    80     1.50108   107.42990  -170.60790
   81    80 S   H    _H21    81     1.02949   110.41461   -64.34194
   82    80 S   H    _H22    82     1.02830   110.73203   177.24153
   83    80 S   H    _H23    83     1.02788   112.18531    56.64659
  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
  12   7   2   1   1   9   4   7   3  10   7   4   8   3   2  10
   5   4   1   1  11   6  10   4   8   3   7   4   8   4   5   4
   3   9   5   4   2   1   1  11   5   4   8   7   6   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    51    52  
   38    39    40    43    46    47    51  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    51    45  
   40    41    42    46  
   41    42    43    44    46    45    48  
   42    43    45  
   43    44    46    47    51    45    48    49    50    53  
   44    46    47    51    52    45    48  
   46    47    51    45  
   48    49    50    53    54    55    57    46  
   47    51    52  
   51    52  
   49    50    53    54    55    56    59    57    58    61  
   50    53    54    55    57  
   53    54    55    57  
   52  
    0  
   54    55    56    59    60    63    57    58    61    62    66  
   55    56    59    57    58    61  
   56    59    60    63    64    65    69    57    58    61  
   59    60    63    57  
   58    61    62    66    67    68    72    59  
   61    62    66  
   60    63    64    65    69    70    71  
   63    64    65    69  
   62    66    67    68    72    73    74    75  
   66    67    68    72  
   64    65    69    70    71  
   65    69    70    71  
   69    70    71  
   67    68    72    73    74    75    76    77    80  
   68    72    73    74    75  
   72    73    74    75  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   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   0.107500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   78   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   380.000  1.444
   42    43   549.000  1.340
   42    45   240.000  1.763
   43    44   340.000  1.080
   43    46   317.000  1.510
   46    47   340.000  1.090
   46    51   320.000  1.410
   51    52   553.000  0.945
   45    48   222.000  1.810
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    57   337.000  1.449
   55    56   570.000  1.229
   55    59   490.000  1.335
   59    60   434.000  1.010
   59    63   337.000  1.449
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    66   317.000  1.522
   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   317.000  1.522
   75    80   367.000  1.471
   77    78   656.000  1.250
   77    79   656.000  1.250
   80    81   434.000  1.010
   80    82   434.000  1.010
   80    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    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    70.00000  112.02700
   33    46    47    37.50000  110.70000
   33    46    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  123.01800
   40    38    39    35.00000  120.00000
   40    42    43    70.00000  123.01800
   40    42    45    65.00000  122.11800
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    46    70.00000  124.00000
   42    45    48    85.00000  102.41200
   43    46    47    35.00000  109.50000
   43    46    51    90.00000  110.39200
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    43    44    35.00000  117.00000
   46    51    52    55.00000  108.50000
   51    46    47    35.00000  109.50000
   45    42    43    65.00000  122.11800
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    53    75.00000  108.68000
   48    53    54    37.50000  110.70000
   48    53    55    63.00000  111.10000
   48    53    57    80.00000  109.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    55    56    80.00000  120.40000
   53    55    59    70.00000  116.60000
   53    57    58    38.00000  118.40000
   53    57    61    50.00000  121.90000
   55    53    54    35.00000  109.50000
   55    59    60    35.00000  119.80000
   55    59    63    50.00000  121.90000
   59    55    56    80.00000  122.90000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    69    63.00000  110.10000
   63    59    60    38.00000  118.40000
   63    69    70    70.00000  117.00000
   63    69    71    70.00000  117.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   71    69    70    80.00000  126.00000
   57    53    54    35.00000  109.50000
   57    53    55    63.00000  110.10000
   57    61    62    80.00000  122.90000
   57    61    66    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    72    63.00000  111.10000
   66    61    62    80.00000  120.40000
   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    70.00000  109.69300
   72    75    80    80.00000  111.20000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    70.00000  117.00000
   75    77    79    70.00000  117.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   77    75    76    35.00000  109.50000
   79    77    78    80.00000  126.00000
   80    75    76    35.00000  109.50000
   80    75    77    80.00000  109.26000
   82    80    81    35.00000  109.50000
   83    80    81    35.00000  109.50000
   83    80    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    51   0.56750  1.0 1.0
   29    33    46    51  -0.07550 -1.0 2.0
   29    33    46    51   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    51    52  -0.11600  1.0 1.0
   33    46    51    52  -0.09450 -1.0 2.0
   33    46    51    52   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    51   0.23400  1.0 3.0
   38    33    46    43   0.31000  1.0 1.0
   38    33    46    43   0.14700 -1.0 2.0
   38    33    46    43   0.07550  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    51   1.05650  1.0 1.0
   38    33    46    51   0.15600 -1.0 2.0
   38    33    46    51   0.53150  1.0 3.0
   38    40   -42    43   0.28850  1.0 1.0
   38    40   -42    43   2.61350 -1.0 2.0
   38    40   -42    43   0.78400  1.0 3.0
   38    40    42    45  -0.18600  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    46   7.00000 -1.0 2.0
   40    42    45    48   1.00000 -1.0 2.0
   41    40    42    43  -0.18600  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   42    43   -46    33   0.09850  1.0 1.0
   42    43   -46    33   0.15250 -1.0 2.0
   42    43   -46    33  -0.50650  1.0 3.0
   42    43    46    47   0.00000  1.0 1.0
   42    43    46    51   0.67800  1.0 1.0
   42    43    46    51   0.47050 -1.0 2.0
   42    43    46    51  -0.62500  1.0 3.0
   42    45    48    49   0.24000  1.0 3.0
   42    45    48    50   0.24000  1.0 3.0
   42    45    48    53   0.00000  1.0 1.0
   43    42    45    48   1.00000 -1.0 2.0
   43    46    51    52  -0.07800  1.0 1.0
   43    46    51    52  -0.21500 -1.0 2.0
   43    46    51    52  -0.03150  1.0 3.0
   44    43    46    33   0.00000  1.0 1.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    51   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    46   7.00000 -1.0 2.0
   45    48    53    54   0.15000  1.0 3.0
   45    48    53    55  -2.17200  1.0 1.0
   45    48    53    55  -0.85700 -1.0 2.0
   45    48    53    57   0.71400  1.0 1.0
   45    48    53    57   0.04300 -1.0 2.0
   45    48    53    57   0.01450  1.0 3.0
   48    53    55    56   0.00000  1.0 1.0
   48    53    55    59   0.93250  1.0 1.0
   48    53    55    59   0.04450 -1.0 2.0
   48    53    55    59   0.17550  1.0 3.0
   48    53    57    58   0.00000  1.0 1.0
   48    53    57    61   0.25950  1.0 1.0
   48    53    57    61   0.43850 -1.0 2.0
   48    53    57    61   2.61650  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55  -0.03800  1.0 3.0
   49    48    53    57   0.23200  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55  -0.03800  1.0 3.0
   50    48    53    57   0.23200  1.0 3.0
   53    55    59    60   2.45000 -1.0 2.0
   53    55    59    63   1.15000  1.0 1.0
   53    55    59    63   3.04450 -1.0 2.0
   53    57    61    62   3.04450 -1.0 2.0
   53    57    61    66   1.15000  1.0 1.0
   53    57    61    66   3.04450 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    59   0.00000  1.0 1.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   55    53    57    58   0.00000  1.0 1.0
   55    53    57    61  -0.29800  1.0 1.0
   55    53    57    61   0.13950 -1.0 2.0
   55    53    57    61  -2.45650  1.0 3.0
   55    59    63    64   0.00000  1.0 1.0
   55    59    63    65   0.00000  1.0 1.0
   55    59    63    69  -0.29800  1.0 1.0
   55    59    63    69   0.13950 -1.0 2.0
   55    59    63    69  -2.45650  1.0 3.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    63   3.04450 -1.0 2.0
   59    63    69    70   0.00000  1.0 1.0
   59    63    69    71   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.00000  1.0 1.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   65    63    69    70   0.00000  1.0 1.0
   65    63    69    71   0.00000  1.0 1.0
   57    53    55    56   0.00000  1.0 1.0
   57    53    55    59   0.37150  1.0 1.0
   57    53    55    59   1.25400 -1.0 2.0
   57    53    55    59  -0.40250  1.0 3.0
   57    61    66    67   0.00000  1.0 1.0
   57    61    66    68   0.00000  1.0 1.0
   57    61    66    72   1.39750  1.0 1.0
   57    61    66    72  -0.07950 -1.0 2.0
   57    61    66    72  -0.18750  1.0 3.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    66   2.45000 -1.0 2.0
   61    66    72    73  -0.11250  1.0 3.0
   61    66    72    74  -0.11250  1.0 3.0
   61    66    72    75  -0.95700  1.0 1.0
   61    66    72    75  -0.18200 -1.0 2.0
   61    66    72    75   0.29450  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    72   0.30150 -1.0 2.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77  -1.63150  1.0 1.0
   66    72    75    77  -0.43550 -1.0 2.0
   66    72    75    77   0.24500  1.0 3.0
   66    72    75    80   1.36600  1.0 1.0
   66    72    75    80  -0.11450 -1.0 2.0
   66    72    75    80   0.24250  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    77    78   0.41150 -1.0 2.0
   72    75    77    79   0.41150 -1.0 2.0
   72    75    80    81   0.17350  1.0 3.0
   72    75    80    82   0.17350  1.0 3.0
   72    75    80    83   0.17350  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77  -0.11250  1.0 3.0
   73    72    75    80   0.19200  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77  -0.11250  1.0 3.0
   74    72    75    80   0.19200  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   76    75    80    83   0.13050  1.0 3.0
   77    75    80    81   0.17350  1.0 3.0
   77    75    80    82   0.17350  1.0 3.0
   77    75    80    83   0.17350  1.0 3.0
   80    75    77    78   0.30150 -1.0 2.0
   80    75    77    79   0.30150 -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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   46    44    43    42   1.10000 -1.0 2.0
   53    59    55    56  10.50000 -1.0 2.0
   60    55    59    63   1.00000 -1.0 2.0
   70    63    69    71  10.50000 -1.0 2.0
   58    61    57    53   1.00000 -1.0 2.0
   57    66    61    62  10.50000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
