* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    148    220     431
    1     0 S   NP   _N1_     1    28.83831    94.86672   -24.31321
    2     1 S   H    _HN1     2     1.02786   110.63065   -87.40372
    3     1 S   H    _H1_     3     1.02949    79.96955    18.57443
    4     1 S   H    _H2_     4     1.02828    28.12691  -176.93944
    5     1 S   CT   _CA1     5     1.50109   129.16949   126.79408
    6     5 S   HC   _HA1     6     1.09572   105.19806    84.03126
    7     5 S   CO3  _C1_     7     1.53788   112.46032   -36.21596
    8     7 S   O2Z  _O11     8     1.26372   115.00785   -42.69778
    9     7 S   O2Z  _O12     9     1.26239   114.94633   136.44462
   10     5 S   CT   _CB1    10     1.53080   107.42344  -157.97897
   11    10 S   HC   HB11    11     1.09833   109.38329   -49.67306
   12    10 S   HC   HB12    12     1.09812   110.44625    66.93914
   13    10 S   CT   _CG1    13     1.52990   112.59840  -170.64392
   14    13 S   HC   HG11    14     1.09581   110.63496   -65.52743
   15    13 S   HC   HG12    15     1.09670   109.78229    53.70269
   16    13 S   C    _CD1    16     1.51798   112.22117   174.17099
   17    16 S   O    _OE1    17     1.22735   123.27548     7.13182
   18    16 S   N    _N2_    18     1.38650   111.66499  -172.97189
   19    18 S   H    _HN2    19     1.01574   118.99095     1.57930
   20    18 S   CT1  _CA2    20     1.46247   123.40771   177.63041
   21    20 S   HC   _HA2    21     1.09656   109.12010     2.75229
   22    20 S   C    _C2_    22     1.53590   108.68738  -112.42790
   23    22 S   O    _O2_    23     1.23045   122.34148  -149.02625
   24    20 S   CT   _CB2    32     1.53529   111.63290   124.81265
   25    24 S   HC   HB21    33     1.09544   109.13612    55.05720
   26    24 S   HC   HB22    34     1.09015   110.45034   172.62632
   27    22 S   N    _N3_    24     1.38352   113.71622    38.53398
   28    27 S   H    _HN3    25     1.01574   119.56661    -3.40640
   29    24 S   S    _SG2    35     1.83188   111.36259   -63.47930
   30    27 S   CT   _CA3    26     1.45280   123.22660   177.06442
   31    30 S   HC   HA31    27     1.09549   107.52004   -64.42301
   32    30 S   HC   HA32    28     1.09556   107.97964    52.02095
   33    29 S   CT   _C10    36     1.91234   104.37633  -138.57421
   34    30 S   CO3  _C3_    29     1.52962   114.06517   174.01470
   35    34 S   O2Z  _O31    30     1.26378   116.06421    -0.48979
   36    34 S   O2Z  _O32    31     1.26426   114.41666   179.56749
   37    33 S   CM   _C5_    37     1.55054   111.11278   -41.77438
   38    33 S   CM   _C11    59     1.55458   102.43992  -159.34662
   39    38 S   HC   _H10    60     1.08926   114.47852   -43.55959
   40    37 S   CMA  _C6_    38     1.36308   123.38406   141.64171
   41    40 S   OM   _O35    39     1.26497   130.00580  -179.75213
   42    37 S   CT   _C4_    55     1.52423   117.70458   -43.73074
   43    42 S   HC   _H3_    56     1.09597   111.76895  -141.87093
   44    42 S   HC   _H4_    57     1.09291   110.91776    97.85470
   45    42 S   HC   _H5_    58     1.09423   112.02255   -23.70479
   46    38 S   CM   _C12    61     1.34693   127.73411   137.83379
   47    46 S   HC   _H11    62     1.08831   118.26519     0.23739
   48    40 S   CT   _C7_    40     1.52748   120.56439     2.06327
   49    48 S   HC   _H6_    41     1.10084   110.47196   132.27825
   50    48 S   HC   _H7_    42     1.09991   109.04115  -111.69420
   51    46 S   CM   _C13    63     1.46767   126.85184   179.44999
   52    48 S   CT   _C8_    43     1.52876   115.69304    11.16394
   53    52 S   HC   _H8_    44     1.09736   109.14297    78.87205
   54    52 S   HC   _H9_    45     1.09813   108.70695  -166.55921
   55    51 S   CM   _C14    64     1.35083   118.10569  -179.57158
   56    55 S   HC   _H12    65     1.09092   118.22949     0.01978
   57    51 S   CT   _C21    80     1.50832   117.34061     0.46309
   58    57 S   HC   _H19    81     1.09584   110.46962   -60.63757
   59    57 S   HC   _H20    82     1.09174   113.88698   179.53396
   60    57 S   HC   _H21    83     1.09584   110.48676    59.76004
   61    33 S   CT   _C9_    46     1.59835   110.56350    84.38395
   62    55 S   CM   _C15    66     1.45104   127.76877   179.96574
   63    62 S   HC   _H13    67     1.08300   117.72301     0.07662
   64    61 S   CT   _C22    47     1.55059   114.62153   -51.84567
   65    64 S   HC   _H22    48     1.09351   111.80437    71.06458
   66    64 S   HC   _H23    49     1.09249   112.91807   -51.50077
   67    64 S   HC   _H24    50     1.09734   110.66197  -170.84723
   68    61 S   CT   _C23    51     1.55214   113.42652    69.55195
   69    68 S   HC   _H25    52     1.09474   111.74616   -57.66203
   70    68 S   HC   _H26    53     1.09697   110.83666  -177.10666
   71    68 S   HC   _H27    54     1.09499   112.27635    64.21879
   72    62 S   CM   _C16    68     1.34442   122.52880   179.91844
   73    72 S   HC   _H14    69     1.09011   118.09280    -0.26541
   74    72 S   CM   _C17    70     1.46465   126.66373  -179.89532
   75    74 S   CM   _C18    71     1.34689   118.51506   178.03975
   76    75 S   HC   _H15    72     1.09035   120.25875     1.67199
   77    74 S   CT   _C20    76     1.50768   117.92985    -2.85369
   78    77 S   HC   _H16    77     1.09537   110.51269    66.14178
   79    77 S   HC   _H17    78     1.09327   113.34112  -173.27040
   80    77 S   HC   _H18    79     1.09591   110.63638   -54.37951
   81    75 S   CO3  _C19    73     1.52780   123.86978  -179.13453
   82    81 S   O2Z  _O34    74     1.26330   115.70113    61.83996
   83    81 S   O2Z  _O33    75     1.26419   114.44840  -120.03764
  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  11   5   4   3
  25   2   1   1  16  12   4  12   5   5   2   1   1  10   3   8
   5   4   9  11   4   3  10   4   4   2   1   1   8   6   3   7
   3   2   1   3   2   1   1   9   3   9   8   4   4   2   1   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    52    61    64    68    42    38    39    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    52    53    54    61    64    65    66    67    68    69    70    71    42    43    44    45    38    39    46    47    51  
   35    36  
   36  
    0  
   40    41    48    49    50    52    61    64    68    42    43    44    45    38    39    46  
   39    46    47    51    55    57    40    42    52    61    64    68  
   46    47    51    61  
   41    48    49    50    52    53    54    61    42    43    44    45  
   48    49    50    52    42  
   43    44    45    48    61  
   44    45  
   45  
    0  
   47    51    55    56    62    57    58    59    60    61  
   51    55    57  
   49    50    52    53    54    61    64    68  
   50    52    53    54    61  
   52    53    54    61  
   55    56    62    63    72    57    58    59    60  
   53    54    61    64    65    66    67    68    69    70    71  
   54    61    64    68  
   61    64    68  
   56    62    63    72    73    74    57    58    59    60  
   62    63    72    57  
   58    59    60    62  
   59    60  
   60  
    0  
   64    65    66    67    68    69    70    71  
   63    72    73    74    75    77  
   72    73    74  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    81    77    78    79    80  
   74    75    77  
   75    76    81    82    83    77    78    79    80  
   76    81    82    83    77    78    79    80  
   81    82    83    77  
   78    79    80    81  
   79    80  
   80  
    0  
   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   0.167500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    61   268.000  1.529
   33    38   317.000  1.510
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    64   268.000  1.529
   61    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   38    39   340.000  1.080
   38    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    55   549.000  1.340
   51    57   317.000  1.510
   55    56   340.000  1.080
   55    62   380.000  1.444
   62    63   340.000  1.080
   62    72   549.000  1.340
   72    73   340.000  1.080
   72    74   380.000  1.444
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    81   230.000  1.545
   81    82   656.000  1.250
   81    83   656.000  1.250
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  112.20000
   29    33    61    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    61    52    58.35000  112.70000
   33    61    64    58.35000  112.70000
   33    61    68    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    46    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    48    65.00000  122.18000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   40    48    49    45.00000  110.52000
   40    48    50    45.00000  110.52000
   40    48    52    70.00000  112.02700
   48    40    41    85.00000  112.85300
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    61    64    58.35000  112.70000
   52    61    68    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    33    37    70.00000  112.02700
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   42    37    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    61    70.00000  112.02700
   38    46    47    35.00000  120.00000
   38    46    51    70.00000  123.01800
   46    38    39    35.00000  120.00000
   46    51    55    70.00000  123.01800
   46    51    57    70.00000  124.00000
   51    46    47    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    62    70.00000  123.01800
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    72    70.00000  123.01800
   62    55    56    35.00000  120.00000
   62    72    73    35.00000  120.00000
   62    72    74    70.00000  123.01800
   72    62    63    35.00000  120.00000
   72    74    75    70.00000  123.01800
   72    74    77    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    81    55.00000  124.75400
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    85.00000  113.83300
   75    81    83    85.00000  113.83300
   81    75    76    40.00000  118.53000
   83    81    82    80.00000  126.00000
   77    74    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   57    51    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    61    52   0.44750  1.0 1.0
   29    33    61    52  -0.17800 -1.0 2.0
   29    33    61    52   0.20200  1.0 3.0
   29    33    61    64   0.44750  1.0 1.0
   29    33    61    64  -0.17800 -1.0 2.0
   29    33    61    64   0.20200  1.0 3.0
   29    33    61    68   0.44750  1.0 1.0
   29    33    61    68  -0.17800 -1.0 2.0
   29    33    61    68   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    46   0.42700  1.0 1.0
   29    33    38    46  -0.70350 -1.0 2.0
   29    33    38    46  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    48   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    61    64    65   0.15000  1.0 3.0
   33    61    64    66   0.15000  1.0 3.0
   33    61    64    67   0.15000  1.0 3.0
   33    61    68    69   0.15000  1.0 3.0
   33    61    68    70   0.15000  1.0 3.0
   33    61    68    71   0.15000  1.0 3.0
   33    38    46    47   7.00000 -1.0 2.0
   33    38    46    51   7.00000 -1.0 2.0
   37    33    61    52   0.34400  1.0 1.0
   37    33    61    52   0.09450 -1.0 2.0
   37    33    61    52   0.11100  1.0 3.0
   37    33    61    64   0.34400  1.0 1.0
   37    33    61    64   0.09450 -1.0 2.0
   37    33    61    64   0.11100  1.0 3.0
   37    33    61    68   0.34400  1.0 1.0
   37    33    61    68   0.09450 -1.0 2.0
   37    33    61    68   0.11100  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    46  -0.28300  1.0 1.0
   37    33    38    46   0.26700 -1.0 2.0
   37    33    38    46  -0.63300  1.0 3.0
   37    40    48    49   0.00000  1.0 1.0
   37    40    48    50   0.00000  1.0 1.0
   37    40   -48    52   0.09850  1.0 1.0
   37    40   -48    52   0.15250 -1.0 2.0
   37    40   -48    52  -0.50650  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    45   0.00000  1.0 1.0
   40    48    52    53   0.15000  1.0 3.0
   40    48    52    54   0.15000  1.0 3.0
   40    48    52    61   0.34400  1.0 1.0
   40    48    52    61   0.09450 -1.0 2.0
   40    48    52    61   0.11100  1.0 3.0
   41    40    48    49   0.00000  1.0 1.0
   41    40    48    50   0.00000  1.0 1.0
   41    40    48    52   0.09700  1.0 1.0
   41    40    48    52   0.15600 -1.0 2.0
   41    40    48    52  -0.50800  1.0 3.0
   48    52   -61    33   0.56750  1.0 1.0
   48    52   -61    33  -0.07550 -1.0 2.0
   48    52   -61    33   0.20000  1.0 3.0
   48    52    61    64   0.56750  1.0 1.0
   48    52    61    64  -0.07550 -1.0 2.0
   48    52    61    64   0.20000  1.0 3.0
   48    52    61    68   0.56750  1.0 1.0
   48    52    61    68  -0.07550 -1.0 2.0
   48    52    61    68   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    61   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    61   0.15000  1.0 3.0
   52    61    64    65   0.15000  1.0 3.0
   52    61    64    66   0.15000  1.0 3.0
   52    61    64    67   0.15000  1.0 3.0
   52    61    68    69   0.15000  1.0 3.0
   52    61    68    70   0.15000  1.0 3.0
   52    61    68    71   0.15000  1.0 3.0
   53    52    61    33   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    68   0.15000  1.0 3.0
   54    52    61    33   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   54    52    61    68   0.15000  1.0 3.0
   61    33   -37    40   0.09850  1.0 1.0
   61    33   -37    40   0.15250 -1.0 2.0
   61    33   -37    40  -0.50650  1.0 3.0
   61    33    37    42   0.46850  1.0 1.0
   61    33    37    42   0.08550 -1.0 2.0
   61    33    37    42   0.09800  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33    38    46   0.09850  1.0 1.0
   61    33    38    46   0.15250 -1.0 2.0
   61    33    38    46  -0.50650  1.0 3.0
   64    61    68    69   0.15000  1.0 3.0
   64    61    68    70   0.15000  1.0 3.0
   64    61    68    71   0.15000  1.0 3.0
   68    61    64    65   0.15000  1.0 3.0
   68    61    64    66   0.15000  1.0 3.0
   68    61    64    67   0.15000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    48   7.00000 -1.0 2.0
   38    33    37    40  -0.28300  1.0 1.0
   38    33    37    40   0.26700 -1.0 2.0
   38    33    37    40  -0.63300  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    61    52   0.34400  1.0 1.0
   38    33    61    52   0.09450 -1.0 2.0
   38    33    61    52   0.11100  1.0 3.0
   38    33    61    64   0.34400  1.0 1.0
   38    33    61    64   0.09450 -1.0 2.0
   38    33    61    64   0.11100  1.0 3.0
   38    33    61    68   0.34400  1.0 1.0
   38    33    61    68   0.09450 -1.0 2.0
   38    33    61    68   0.11100  1.0 3.0
   38    46    51    55   0.28850  1.0 1.0
   38    46    51    55   2.61350 -1.0 2.0
   38    46    51    55   0.78400  1.0 3.0
   38    46    51    57  -0.18600  1.0 3.0
   39    38    46    47   7.00000 -1.0 2.0
   39    38    46    51   7.00000 -1.0 2.0
   46    51    55    56   7.00000 -1.0 2.0
   46    51    55    62   7.00000 -1.0 2.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   46    51    57    60   0.00000  1.0 1.0
   47    46    51    55  -0.18600  1.0 3.0
   47    46    51    57   0.00000  1.0 1.0
   51    55    62    63  -0.18600  1.0 3.0
   51    55    62    72   0.28850  1.0 1.0
   51    55    62    72   2.61350 -1.0 2.0
   51    55    62    72   0.78400  1.0 3.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    59   0.00000  1.0 1.0
   55    51    57    60   0.00000  1.0 1.0
   55    62    72    73   7.00000 -1.0 2.0
   55    62    72    74   7.00000 -1.0 2.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    72  -0.18600  1.0 3.0
   62    72    74    75   0.28850  1.0 1.0
   62    72    74    75   2.61350 -1.0 2.0
   62    72    74    75   0.78400  1.0 3.0
   62    72    74    77  -0.18600  1.0 3.0
   63    62    72    73   7.00000 -1.0 2.0
   63    62    72    74   7.00000 -1.0 2.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    81   7.00000 -1.0 2.0
   72    74    77    78   0.00000  1.0 1.0
   72    74    77    79   0.00000  1.0 1.0
   72    74    77    80   0.00000  1.0 1.0
   73    72    74    75  -0.18600  1.0 3.0
   73    72    74    77   0.00000  1.0 1.0
   74    75    81    82  -0.04000 -1.0 2.0
   74    75    81    82  -0.29050  1.0 3.0
   74    75    81    83  -0.04000 -1.0 2.0
   74    75    81    83  -0.29050  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    80   0.00000  1.0 1.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.00000  1.0 1.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    81   7.00000 -1.0 2.0
   57    51    55    56   7.00000 -1.0 2.0
   57    51    55    62   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   48    41    40    37   1.10000 -1.0 2.0
   33    39    38    46  15.00000 -1.0 2.0
   51    47    46    38  15.00000 -1.0 2.0
   46    57    51    55  15.00000 -1.0 2.0
   62    56    55    51  15.00000 -1.0 2.0
   55    63    62    72  15.00000 -1.0 2.0
   74    73    72    62  15.00000 -1.0 2.0
   72    77    74    75  15.00000 -1.0 2.0
   81    76    75    74  15.00000 -1.0 2.0
   82    75    81    83  10.50000 -1.0 2.0
END
