* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    31.39929    91.15079   -16.82246
    2     1 S   H    _HN1     2     1.03651   122.19991   130.42369
    3     1 S   H    _H1_     3     1.02602    38.09913    53.81049
    4     1 S   H    _H2_     4     1.03413   126.37782   -18.65215
    5     1 S   CT   _CA1     5     1.50458    74.22323  -125.44428
    6     5 S   HC   _HA1     6     1.09613   105.08583    59.16524
    7     5 S   CO3  _C1_     7     1.53913   113.39572   -59.84091
    8     7 S   O2Z  _O11     8     1.26340   115.88169   -34.22594
    9     7 S   O2Z  _O12     9     1.26425   114.65304   144.85917
   10     5 S   CT   _CB1    10     1.52702   106.14100   175.50486
   11    10 S   HC   HB11    11     1.09905   108.52326   -64.98869
   12    10 S   HC   HB12    12     1.09218   109.21037    49.32102
   13    10 S   CT   _CG1    13     1.52881   116.20301   172.36722
   14    13 S   HC   HG11    14     1.09532   111.50079   -64.61559
   15    13 S   HC   HG12    15     1.09519   110.82979    55.89312
   16    13 S   C    _CD1    16     1.51716   108.91380   175.51603
   17    16 S   O    _OE1    17     1.22835   121.79851  -108.37399
   18    16 S   N    _N2_    18     1.38593   112.81809    69.22143
   19    18 S   H    _HN2    19     1.02018   119.26279     7.84678
   20    18 S   CT1  _CA2    20     1.46134   123.42663  -165.89159
   21    20 S   HC   _HA2    21     1.09742   108.86909     3.45791
   22    20 S   C    _C2_    22     1.53312   110.06599  -112.92203
   23    22 S   O    _O2_    23     1.23099   121.91219  -149.62309
   24    20 S   CT   _CB2    32     1.54037   111.17762   124.02416
   25    24 S   HC   HB21    33     1.09426   109.43379    65.68186
   26    24 S   HC   HB22    34     1.09514   110.01094  -175.36325
   27    22 S   N    _N3_    24     1.38417   113.84061    38.18322
   28    27 S   H    _HN3    25     1.01494   118.92665    -1.24411
   29    24 S   S    _SG2    35     1.82669   111.51873   -54.40021
   30    27 S   CT   _CA3    26     1.45426   123.29793   175.36097
   31    30 S   HC   HA31    27     1.09541   108.97758    28.92010
   32    30 S   HC   HA32    28     1.09493   107.16684   145.80493
   33    29 S   CT   _C7_    36     1.84049   102.01431  -170.78153
   34    33 S   HC   _H6_    37     1.09744   104.85752    70.70750
   35    30 S   CO3  _C3_    29     1.52938   113.38278   -94.43702
   36    35 S   O2Z  _O31    30     1.26384   115.52266   -44.14681
   37    35 S   O2Z  _O32    31     1.26388   114.96071   136.91394
   38    33 S   CT   _C6_    38     1.55465   108.29760  -174.43412
   39    38 S   HC   _H5_    39     1.09854   108.68755   -56.96272
   40    38 S   CT   _C5_    40     1.54467   110.58930  -176.04770
   41    40 S   HC   _H4_    41     1.09582   108.96158  -174.81647
   42    38 S   OS   _O44    78     1.42591   110.60650    63.12425
   43    40 S   CT   _C4_    42     1.54006   112.37797   -53.69636
   44    43 S   HC   _H3_    43     1.09328   109.61078   173.01354
   45    40 S   OS   _O48    72     1.42910   107.17639    66.32149
   46    42 S   P2   _P4_    79     1.62872   120.17423  -138.37285
   47    46 S   O2Z  _O47    80     1.51348   109.54609    85.01004
   48    46 S   O2Z  _O45    81     1.51053   110.15394   -50.36149
   49    43 S   CT   _C9_    44     1.53786   110.52047    53.86677
   50    49 S   HC   _H8_    45     1.09759   108.40995    62.93739
   51    43 S   OS   _O52    66     1.42524   109.82362   -67.55958
   52    45 S   P2   _P5_    73     1.62870   119.92156   145.19986
   53    52 S   O2Z  _O51    74     1.51035   109.79147    71.10310
   54    52 S   O2Z  _O49    75     1.51061   109.51370   -64.87702
   55    46 S   OS   _O46    82     1.63068    98.09597  -162.67911
   56    55 S   HO   _H13    83     0.98008   115.98346    71.08926
   57    33 S   CT   _C8_    46     1.54679   115.39112   -47.60153
   58    57 S   HC   _H7_    47     1.09504   109.89894    61.41068
   59    49 S   OS   _O33    59     1.42323   111.13527  -179.07528
   60    51 S   P2   _P6_    67     1.62903   120.50267  -103.65481
   61    60 S   O2Z  _O55    68     1.51221   108.63604   175.88743
   62    60 S   O2Z  _O53    69     1.51097   110.06848    41.89936
   63    52 S   OS   _O50    76     1.63160    98.17323  -176.82787
   64    63 S   HO   _H14    77     0.97850   116.00070   174.99125
   65    57 S   OS   _O37    48     1.42688   110.31212   -58.21856
   66    59 S   P1   _P1_    60     1.61175   120.62155   -83.84103
   67    66 S   O2Z  _O34    61     1.49887   115.75241    62.97158
   68    60 S   OS   _O54    70     1.63099    99.27923   -71.29079
   69    68 S   HO   _H15    71     0.98080   116.51488    77.08938
   70    65 S   P1   _P2_    49     1.61643   120.87113   150.02519
   71    70 S   O2Z  _O38    50     1.50079   116.06909   -29.89896
   72    66 S   OS   _O35    62     1.61368   104.40423   -64.38002
   73    72 S   HO   _H9_    63     0.97920   117.78836   170.44618
   74    66 S   OS   _O36    64     1.61430   103.21908  -171.65261
   75    74 S   HO   _H10    65     0.97905   117.79352  -168.12005
   76    70 S   OS   _O39    51     1.61510   104.04902    96.35458
   77    76 S   HO   _H11    52     0.97827   117.82521  -172.03127
   78    70 S   OS   _O40    53     1.61276   104.20146  -157.08788
   79    78 S   P2   _P3_    54     1.62365   128.92300    46.76852
   80    79 S   O2Z  _O43    55     1.51061   108.19934   -81.79616
   81    79 S   O2Z  _O41    56     1.51140   109.47597    53.05596
   82    79 S   OS   _O42    57     1.63007    99.42911   166.24558
   83    82 S   HO   _H12    58     0.98364   114.53556   167.73634
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  16   7   8  15   7   7   4   3   2
  12   6   7   4   3   2   1   1   8   3   7   4   3   2   1   1
   6   5   4   1   1   8   4   3   1   1   1   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    65    70    59    45    42    46  
   38    39    40    49    57    58    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    65    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    63    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    65    59    66    51    60    61    62    68    45    52  
   49    50    57    59    51    60    45  
   52    53    54    63    64    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    65    70    59    66    67    72    74    51    60  
   57    58    65    59    66    51  
   60    61    62    68    69    57    59  
   53    54    63    64  
   54    63    64  
   63    64  
   56  
    0  
   58    65    70    71    76    78    59    66  
   65    70    59  
   66    67    72    73    74    75    65  
   61    62    68    69  
   62    68    69  
   68    69  
   64  
    0  
   70    71    76    77    78    79  
   67    72    73    74    75  
   72    73    74    75  
   69  
    0  
   71    76    77    78    79    80    81    82  
   76    77    78    79  
   73    74    75  
   74  
   75  
    0  
   77    78    79  
   78  
   79    80    81    82    83  
   80    81    82    83  
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   72   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.8500   0.1400  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7400   0.2000   1.565000   2.1070   1.8700   0.005000000   0.000000000
   80   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   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   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    70   405.000  1.623
   70    71   675.000  1.490
   70    76   405.000  1.623
   70    78   405.000  1.623
   76    77   553.000  0.945
   78    79   230.000  1.697
   79    80   525.000  1.480
   79    81   525.000  1.480
   79    82   230.000  1.697
   82    83   553.000  0.945
   59    66   405.000  1.623
   66    67   675.000  1.490
   66    72   405.000  1.623
   66    74   405.000  1.623
   72    73   553.000  0.945
   74    75   553.000  0.945
   51    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    68   230.000  1.697
   68    69   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    63   230.000  1.697
   63    64   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   553.000  0.945
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  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60   100.00000  120.50000
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    65    50.00000  109.50000
   49    59    66    75.00000  119.24600
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    65    70    75.00000  119.24600
   65    57    58    35.00000  109.50000
   65    70    71   100.00000  115.86100
   65    70    76   120.00000  102.38000
   65    70    78   120.00000  102.38000
   70    76    77    50.00000  113.86100
   70    78    79    55.00000  126.09000
   76    70    71   100.00000  115.86100
   78    70    71   100.00000  115.86100
   78    70    76   120.00000  102.38000
   78    79    80   100.00000  108.23000
   78    79    81   100.00000  108.23000
   78    79    82    45.00000  102.60000
   79    82    83    45.00000  108.50000
   81    79    80   140.00000  119.90000
   82    79    80   100.00000  108.23000
   82    79    81   100.00000  108.23000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    66    67   100.00000  115.86100
   59    66    72   120.00000  102.38000
   59    66    74   120.00000  102.38000
   66    72    73    50.00000  113.86100
   66    74    75    50.00000  113.86100
   72    66    67   100.00000  115.86100
   74    66    67   100.00000  115.86100
   74    66    72   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  108.23000
   51    60    62   100.00000  108.23000
   51    60    68    45.00000  102.60000
   60    68    69    45.00000  108.50000
   62    60    61   140.00000  119.90000
   68    60    61   100.00000  108.23000
   68    60    62   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    63    45.00000  102.60000
   52    63    64    45.00000  108.50000
   54    52    53   140.00000  119.90000
   63    52    53   100.00000  108.23000
   63    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    65   0.56750  1.0 1.0
   29    33    57    65  -0.07550 -1.0 2.0
   29    33    57    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    57    65    70  -2.65550  1.0 1.0
   33    57    65    70  -0.22350 -1.0 2.0
   33    57    65    70   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    65   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    65   0.62750  1.0 1.0
   38    33    57    65  -0.30950 -1.0 2.0
   38    33    57    65   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    63   0.05050  1.0 1.0
   40    45    52    63  -1.30700 -1.0 2.0
   40    45    52    63   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    65   0.62750  1.0 1.0
   43    49    57    65  -0.30950 -1.0 2.0
   43    49    57    65   0.27300  1.0 3.0
   43    49    59    66  -2.65550  1.0 1.0
   43    49    59    66  -0.22350 -1.0 2.0
   43    49    59    66   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    62   0.00000  1.0 1.0
   43    51    60    68   0.05050  1.0 1.0
   43    51    60    68  -1.30700 -1.0 2.0
   43    51    60    68   0.91550  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    65    70  -2.65550  1.0 1.0
   49    57    65    70  -0.22350 -1.0 2.0
   49    57    65    70   0.24150  1.0 3.0
   49    59    66    67   0.00000  1.0 1.0
   49    59    66    72   0.91800  1.0 1.0
   49    59    66    72   0.22900 -1.0 2.0
   49    59    66    72   0.32050  1.0 3.0
   49    59    66    74   0.91800  1.0 1.0
   49    59    66    74   0.22900 -1.0 2.0
   49    59    66    74   0.32050  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    65   0.23400  1.0 3.0
   50    49    59    66   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    66  -2.65550  1.0 1.0
   57    49    59    66  -0.22350 -1.0 2.0
   57    49    59    66   0.24150  1.0 3.0
   57    65    70    71   0.00000  1.0 1.0
   57    65    70    76   0.91800  1.0 1.0
   57    65    70    76   0.22900 -1.0 2.0
   57    65    70    76   0.32050  1.0 3.0
   57    65    70    78   0.91800  1.0 1.0
   57    65    70    78   0.22900 -1.0 2.0
   57    65    70    78   0.32050  1.0 3.0
   58    57    65    70   0.03000  1.0 3.0
   65    70    76    77  -0.22900  1.0 1.0
   65    70    76    77   0.09450 -1.0 2.0
   65    70    76    77  -0.07800  1.0 3.0
   65    70    78    79   0.88300  1.0 1.0
   65    70    78    79   0.16450 -1.0 2.0
   65    70    78    79   0.32850  1.0 3.0
   70    78    79    80   0.50000  1.0 3.0
   70    78    79    81   0.50000  1.0 3.0
   70    78    79    82   0.15000  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    78    79   0.50000  1.0 3.0
   76    70    78    79   0.88300  1.0 1.0
   76    70    78    79   0.16450 -1.0 2.0
   76    70    78    79   0.32850  1.0 3.0
   78    70    76    77  -0.22900  1.0 1.0
   78    70    76    77   0.09450 -1.0 2.0
   78    70    76    77  -0.07800  1.0 3.0
   78    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    65   1.11900  1.0 1.0
   59    49    57    65  -1.16350 -1.0 2.0
   59    49    57    65  -0.34150  1.0 3.0
   59    66    72    73  -0.22900  1.0 1.0
   59    66    72    73   0.09450 -1.0 2.0
   59    66    72    73  -0.07800  1.0 3.0
   59    66    74    75  -0.22900  1.0 1.0
   59    66    74    75   0.09450 -1.0 2.0
   59    66    74    75  -0.07800  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    74    75   0.00000  1.0 1.0
   72    66    74    75  -0.22900  1.0 1.0
   72    66    74    75   0.09450 -1.0 2.0
   72    66    74    75  -0.07800  1.0 3.0
   74    66    72    73  -0.22900  1.0 1.0
   74    66    72    73   0.09450 -1.0 2.0
   74    66    72    73  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    68    69   0.00000  1.0 1.0
   61    60    68    69   0.00000  1.0 1.0
   62    60    68    69   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    63    64   0.00000  1.0 1.0
   53    52    63    64   0.00000  1.0 1.0
   54    52    63    64   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   0.00000  1.0 1.0
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
END
