* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    227     454
    1     0 S   NP   _N1_     1    29.19416    98.28327   -23.47025
    2     1 S   H    _HN1     2     1.02824    52.11323   168.84936
    3     1 S   H    _H1_     3     1.02800   106.67409   -91.18996
    4     1 S   H    _H2_     4     1.02943    57.79802    10.36640
    5     1 S   CT   _CA1     5     1.50065   141.09732    93.30283
    6     5 S   HC   _HA1     6     1.09572   105.15763   113.92929
    7     5 S   CO3  _C1_     7     1.53756   112.63955    -6.28013
    8     7 S   O2Z  _O11     8     1.26368   115.00586   -41.98411
    9     7 S   O2Z  _O12     9     1.26245   114.95375   137.23778
   10     5 S   CT   _CB1    10     1.53077   107.44078  -128.15308
   11    10 S   HC   HB11    11     1.09835   109.30190   -51.01754
   12    10 S   HC   HB12    12     1.09804   110.53785    65.64700
   13    10 S   CT   _CG1    13     1.52917   112.44094  -171.98516
   14    13 S   HC   HG11    14     1.09505   110.56242   -69.41837
   15    13 S   HC   HG12    15     1.09613   109.55913    49.67871
   16    13 S   C    _CD1    16     1.51746   112.12593   170.40339
   17    16 S   O    _OE1    17     1.22732   123.17093    18.09155
   18    16 S   N    _N2_    18     1.38603   111.74121  -161.98653
   19    18 S   H    _HN2    19     1.01552   118.91060     0.78584
   20    18 S   CT1  _CA2    20     1.46061   123.64095   174.63893
   21    20 S   HC   _HA2    21     1.09706   109.42615     7.54395
   22    20 S   C    _C2_    22     1.53908   108.27296  -107.69288
   23    22 S   O    _O2_    23     1.23076   122.27781  -151.13353
   24    20 S   CT   _CB2    32     1.53287   111.75314   130.13886
   25    24 S   HC   HB21    33     1.09574   110.88444    51.60936
   26    24 S   HC   HB22    34     1.09525   110.17919   169.57340
   27    22 S   N    _N3_    24     1.38334   113.95913    36.34874
   28    27 S   H    _HN3    25     1.01514   119.59756    -2.76272
   29    24 S   S    _SG2    35     1.82651   113.66695   -71.92756
   30    27 S   CT   _CA3    26     1.45256   123.44859   177.81161
   31    30 S   HC   HA31    27     1.09537   107.64096   -63.63870
   32    30 S   HC   HA32    28     1.09556   107.88930    52.86910
   33    29 S   OS   _O35    36     1.66754    99.96767    70.70478
   34    30 S   CO3  _C3_    29     1.53000   113.90358   174.88933
   35    34 S   O2Z  _O31    30     1.26403   116.05414     4.70011
   36    34 S   O2Z  _O32    31     1.26417   114.44983  -175.29227
   37    33 S   CT   _C12    37     1.43500   115.67674    86.21602
   38    37 S   HC   _H3_    38     1.09878   109.88402   -36.71357
   39    37 S   CM   _C13    39     1.50941   109.70581    85.94035
   40    39 S   HC   _H19    40     1.08729   117.18922    56.33608
   41    37 S   CT   _C11    66     1.53771   106.51041  -153.84164
   42    41 S   HC   _H17    67     1.09515   109.13624    41.79792
   43    41 S   HC   _H18    68     1.09830   110.54055   -72.28481
   44    39 S   CM   _C14    41     1.34118   122.40094  -125.43162
   45    44 S   HC   _H20    42     1.08448   118.15214     1.88170
   46    41 S   CM   _C10    69     1.50300   113.36482   165.20215
   47    46 S   HC   _H16    70     1.08802   116.26474    78.70226
   48    44 S   CM   _C15    43     1.44362   123.86431  -176.83244
   49    48 S   HC   _H21    44     1.08848   116.33608    -5.30873
   50    46 S   CM   _C9_    71     1.34246   125.80294  -103.32021
   51    50 S   HC   _H15    72     1.08797   117.93839  -177.96414
   52    48 S   CM   _C16    45     1.34333   126.10712   173.31813
   53    52 S   HC   _H22    46     1.08950   116.88167  -179.23281
   54    50 S   CT   _C8_    73     1.50208   126.03139     3.94640
   55    54 S   HC   _H13    74     1.09625   110.60021    30.16056
   56    54 S   HC   _H14    75     1.09692   108.34865   145.68807
   57    52 S   CT   _C17    47     1.50343   127.94824     0.87133
   58    57 S   HC   _H23    48     1.09748   108.07691   129.90591
   59    57 S   HC   _H24    49     1.09287   112.48133    14.81779
   60    54 S   CT   _C7_    76     1.52891   111.88853   -93.19401
   61    60 S   HC   _H11    77     1.09722   109.82196   -60.69924
   62    60 S   HC   _H12    78     1.09723   109.88311    56.68814
   63    57 S   CM   _C18    50     1.50254   111.89571  -111.20599
   64    63 S   HC   _H25    51     1.08882   115.67638   -75.66639
   65    60 S   CT   _C6_    79     1.52993   111.14046   177.76752
   66    65 S   HC   _H9_    80     1.09677   109.60439    60.01482
   67    65 S   HC   _H10    81     1.09682   109.60847   -57.22685
   68    63 S   CM   _C19    52     1.34318   126.90124   106.55933
   69    68 S   HC   _H26    53     1.08842   117.60231   177.69344
   70    65 S   CT   _C5_    82     1.52815   111.31054  -178.50263
   71    70 S   HC   _H7_    83     1.09600   109.91236    57.65792
   72    70 S   HC   _H8_    84     1.09614   109.86341   -60.07323
   73    68 S   CT   _C20    54     1.50198   126.78385    -4.03459
   74    73 S   HC   _H27    55     1.09728   108.18508  -139.16947
   75    73 S   HC   _H28    56     1.09180   110.79460   -23.99644
   76    70 S   CT   _C4_    85     1.52003   111.43455   178.70896
   77    76 S   HC   _H4_    86     1.09462   111.02141    60.30478
   78    76 S   HC   _H5_    87     1.09427   110.93348   -60.17160
   79    76 S   HC   _H6_    88     1.09443   110.28130  -179.87967
   80    73 S   CT   _C21    57     1.53011   111.90662    99.97245
   81    80 S   HC   _H29    58     1.09701   110.23715   -54.09992
   82    80 S   HC   _H30    59     1.09750   109.06269    62.59796
   83    80 S   CT   _C22    60     1.52752   112.09457  -177.04375
   84    83 S   HC   _H31    61     1.09748   108.27556  -168.01834
   85    83 S   HC   _H32    62     1.09715   109.56789   -51.86768
   86    83 S   CO3  _C23    63     1.53372   116.84927    72.29278
   87    86 S   O2Z  _O34    64     1.26470   114.23380  -165.56087
   88    86 S   O2Z  _O33    65     1.26121   116.55615    15.08624
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  12   7  10   4   8   4   3   6   3   7   3   7
   3   8   4   7   4   9   5   4   7   4   3   9   5   4   7   3
   9   5   4   8   4   6   5   4   9   5   4   3   2   1   1   8
   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    48    41    42    43    46    47    50  
   39    40    44    41    42    43    46  
   40    44    45    48    49    52    41    42    43    46  
   44    45    48    41  
   42    43    46    47    50    51    54    44  
   43    46    47    50  
   46    47    50  
   45    48    49    52    53    57  
   48    49    52  
   47    50    51    54    55    56    60  
   50    51    54  
   49    52    53    57    58    59    63  
   52    53    57  
   51    54    55    56    60    61    62    65  
   54    55    56    60  
   53    57    58    59    63    64    68  
   57    58    59    63  
   55    56    60    61    62    65    66    67    70  
   56    60    61    62    65  
   60    61    62    65  
   58    59    63    64    68    69    73  
   59    63    64    68  
   63    64    68  
   61    62    65    66    67    70    71    72    76  
   62    65    66    67    70  
   65    66    67    70  
   64    68    69    73    74    75    80  
   68    69    73  
   66    67    70    71    72    76    77    78    79  
   67    70    71    72    76  
   70    71    72    76  
   69    73    74    75    80    81    82    83  
   73    74    75    80  
   71    72    76    77    78    79  
   72    76    77    78    79  
   76    77    78    79  
   74    75    80    81    82    83    84    85    86  
   75    80    81    82    83  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   88   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    48   380.000  1.444
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.510
   63    64   340.000  1.080
   63    68   549.000  1.340
   68    69   340.000  1.080
   68    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.522
   86    87   656.000  1.250
   86    88   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    70.00000  112.02700
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    48    70.00000  123.01800
   44    39    40    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    70.00000  123.01800
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    63    70.00000  110.12100
   57    52    53    35.00000  117.00000
   57    63    64    35.00000  117.00000
   57    63    68    70.00000  124.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    68    69    35.00000  120.00000
   63    68    73    70.00000  124.00000
   68    63    64    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    80    70.00000  112.02700
   73    68    69    35.00000  117.00000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   80    73    74    37.50000  110.70000
   80    73    75    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    70.00000  109.69300
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    70.00000  117.00000
   83    86    88    70.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   88    86    87    80.00000  126.00000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    35.00000  117.00000
   41    46    50    70.00000  124.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    60    70.00000  112.02700
   54    50    51    35.00000  117.00000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    76    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.61850  1.0 1.0
   33    37    41    46  -0.22750 -1.0 2.0
   33    37    41    46   0.15300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    48   7.00000 -1.0 2.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    50   0.09850  1.0 1.0
   37    41    46    50   0.15250 -1.0 2.0
   37    41    46    50  -0.50650  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.31000  1.0 1.0
   39    37    41    46   0.14700 -1.0 2.0
   39    37    41    46   0.07550  1.0 3.0
   39    44    48    49  -0.18600  1.0 3.0
   39    44    48    52   0.28850  1.0 1.0
   39    44    48    52   2.61350 -1.0 2.0
   39    44    48    52   0.78400  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    48   7.00000 -1.0 2.0
   44    48    52    53   7.00000 -1.0 2.0
   44    48    52    57   7.00000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52  -0.18600  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.00000  1.0 1.0
   48    52    57    63  -0.28300  1.0 1.0
   48    52    57    63   0.26700 -1.0 2.0
   48    52    57    63  -0.63300  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    57   7.00000 -1.0 2.0
   52    57    63    64   0.00000  1.0 1.0
   52    57    63    68  -0.28300  1.0 1.0
   52    57    63    68   0.26700 -1.0 2.0
   52    57    63    68  -0.63300  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.33100  1.0 3.0
   53    52    57    63   0.00000  1.0 1.0
   57    63    68    69   7.00000 -1.0 2.0
   57    63    68    73   7.00000 -1.0 2.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    68   0.00000  1.0 1.0
   59    57    63    64   0.33100  1.0 3.0
   59    57    63    68   0.00000  1.0 1.0
   63    68    73    74   0.00000  1.0 1.0
   63    68    73    75   0.00000  1.0 1.0
   63    68    73    80   0.09850  1.0 1.0
   63    68    73    80   0.15250 -1.0 2.0
   63    68    73    80  -0.50650  1.0 3.0
   64    63    68    69   7.00000 -1.0 2.0
   64    63    68    73   7.00000 -1.0 2.0
   68    73    80    81   0.15000  1.0 3.0
   68    73    80    82   0.15000  1.0 3.0
   68    73    80    83   0.34400  1.0 1.0
   68    73    80    83   0.09450 -1.0 2.0
   68    73    80    83   0.11100  1.0 3.0
   69    68    73    74   0.33100  1.0 3.0
   69    68    73    75   0.33100  1.0 3.0
   69    68    73    80   0.00000  1.0 1.0
   73    80    83    84   0.15000  1.0 3.0
   73    80    83    85   0.15000  1.0 3.0
   73    80    83    86  -1.63150  1.0 1.0
   73    80    83    86  -0.43550 -1.0 2.0
   73    80    83    86   0.24500  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    83   0.15000  1.0 3.0
   75    73    80    81   0.15000  1.0 3.0
   75    73    80    82   0.15000  1.0 3.0
   75    73    80    83   0.15000  1.0 3.0
   80    83    86    87   0.41150 -1.0 2.0
   80    83    86    88   0.41150 -1.0 2.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86  -0.11250  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86  -0.11250  1.0 3.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.00000  1.0 1.0
   85    83    86    88   0.00000  1.0 1.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    54   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    50   0.00000  1.0 1.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    50   0.00000  1.0 1.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    60   0.09850  1.0 1.0
   46    50    54    60   0.15250 -1.0 2.0
   46    50    54    60  -0.50650  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    65   0.34400  1.0 1.0
   50    54    60    65   0.09450 -1.0 2.0
   50    54    60    65   0.11100  1.0 3.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.33100  1.0 3.0
   51    50    54    60   0.00000  1.0 1.0
   54    60    65    66   0.15000  1.0 3.0
   54    60    65    67   0.15000  1.0 3.0
   54    60    65    70   0.56750  1.0 1.0
   54    60    65    70  -0.07550 -1.0 2.0
   54    60    65    70   0.20000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    65   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    65   0.15000  1.0 3.0
   60    65    70    71   0.15000  1.0 3.0
   60    65    70    72   0.15000  1.0 3.0
   60    65    70    76   0.56750  1.0 1.0
   60    65    70    76  -0.07550 -1.0 2.0
   60    65    70    76   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    70   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    70   0.15000  1.0 3.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    78   0.15000  1.0 3.0
   65    70    76    79   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    76   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    76   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  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
   37    40    39    44  15.00000 -1.0 2.0
   48    45    44    39  15.00000 -1.0 2.0
   44    49    48    52  15.00000 -1.0 2.0
   57    53    52    48  15.00000 -1.0 2.0
   57    64    63    68  15.00000 -1.0 2.0
   73    69    68    63  15.00000 -1.0 2.0
   87    83    86    88  10.50000 -1.0 2.0
   41    47    46    50  15.00000 -1.0 2.0
   54    51    50    46  15.00000 -1.0 2.0
END
