* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    28.25191    94.93571   -21.44613
    2     1 S   H    _HN1     2     1.02816    31.66448   175.88524
    3     1 S   H    _H1_     3     1.02790    96.14073   -69.54218
    4     1 S   H    _H2_     4     1.02956    83.83747    38.24496
    5     1 S   CT   _CA1     5     1.50144   140.90413   153.20807
    6     5 S   HC   _HA1     6     1.09573   105.20958    71.62065
    7     5 S   CO3  _C1_     7     1.53771   112.42223   -48.59223
    8     7 S   O2Z  _O11     8     1.26370   115.02759   -43.31371
    9     7 S   O2Z  _O12     9     1.26245   114.93940   135.72892
   10     5 S   CT   _CB1    10     1.53032   107.34356  -170.48523
   11    10 S   HC   HB11    11     1.09835   109.27575   -50.34602
   12    10 S   HC   HB12    12     1.09822   110.41946    66.15752
   13    10 S   CT   _CG1    13     1.53030   112.77334  -171.42467
   14    13 S   HC   HG11    14     1.09586   110.53238   -65.20311
   15    13 S   HC   HG12    15     1.09651   109.95381    54.10917
   16    13 S   C    _CD1    16     1.51806   112.07524   174.42518
   17    16 S   O    _OE1    17     1.22707   123.05290     1.93290
   18    16 S   N    _N2_    18     1.38532   111.80503  -178.16261
   19    18 S   H    _HN2    19     1.01620   119.19944     0.11191
   20    18 S   CT1  _CA2    20     1.45852   123.14940   178.84529
   21    20 S   HC   _HA2    21     1.09597   108.46397   -25.70000
   22    20 S   C    _C2_    22     1.52748   107.17105  -142.49448
   23    22 S   O    _O2_    23     1.22930   123.08263   -27.82212
   24    20 S   CT   _CB2    32     1.53378   112.22123    98.15917
   25    24 S   HC   HB21    33     1.09640   109.92418    42.03243
   26    24 S   HC   HB22    34     1.09460   111.56539   159.76377
   27    22 S   N    _N3_    24     1.38345   112.11257   154.82411
   28    27 S   H    _HN3    25     1.01690   119.67469    -2.72599
   29    24 S   S    _SG2    35     1.82574   112.85723   -77.55557
   30    27 S   CT   _CA3    26     1.45215   123.23285   179.28564
   31    30 S   HC   HA31    27     1.09538   107.52611   -64.99831
   32    30 S   HC   HA32    28     1.09552   107.98000    51.48330
   33    29 S   CT   _C7_    36     1.84888    99.82594   -79.98304
   34    33 S   HC   _H6_    37     1.09447   107.30032    34.63473
   35    30 S   CO3  _C3_    29     1.53004   114.00254   173.51977
   36    35 S   O2Z  _O31    30     1.26491   116.02616     2.58407
   37    35 S   O2Z  _O32    31     1.26423   114.44022  -177.47609
   38    33 S   CT   _C6_    38     1.54484   110.93968   -82.87289
   39    38 S   HC   _H5_    39     1.09499   107.83738    41.57107
   40    38 S   CT   _C5_    40     1.54132   115.56797   -80.42969
   41    40 S   HC   _H4_    41     1.09680   108.52993  -163.20564
   42    38 S   OS   _O44    78     1.43179   108.78805   157.54521
   43    40 S   CT   _C4_    42     1.53313   114.06634   -43.28122
   44    43 S   HC   _H3_    43     1.09700   109.71679   167.98366
   45    40 S   OS   _O48    71     1.42693   108.81039    78.56725
   46    42 S   P2   _P4_    79     1.63461   118.34706  -135.39041
   47    46 S   O2Z  _O47    80     1.51104   108.82639  -173.47183
   48    46 S   O2Z  _O45    81     1.51467   109.97719   -39.12569
   49    43 S   CT   _C9_    44     1.53413   111.49162    48.19456
   50    49 S   HC   _H8_    45     1.09675   108.43439    65.27503
   51    43 S   OS   _O52    65     1.42579   108.89798   -73.33990
   52    45 S   P1   _P5_    72     1.61699   118.28203   102.83460
   53    52 S   O2Z  _O49    73     1.49838   115.79858    64.42220
   54    46 S   OS   _O46    82     1.63049    98.94277    74.11808
   55    54 S   HO   _H12    83     0.98355   116.87275    83.15152
   56    33 S   CT   _C8_    46     1.53987   109.62454   151.29210
   57    56 S   HC   _H7_    47     1.09609   110.55275   -45.39570
   58    49 S   OS   _O33    58     1.42745   109.47920  -176.99508
   59    51 S   P2   _P6_    66     1.62916   118.86626  -104.54850
   60    59 S   O2Z  _O55    67     1.51172   109.30962   -70.97589
   61    59 S   O2Z  _O53    68     1.51129   109.46538    63.81125
   62    52 S   OS   _O50    74     1.61381   104.52442   -63.65155
   63    62 S   HO   _H13    75     0.98635   117.95152    73.43117
   64    52 S   OS   _O51    76     1.61533   102.72442  -170.55910
   65    64 S   HO   _H14    77     0.97906   117.32072  -172.72433
   66    56 S   OS   _O37    48     1.43146   109.00171  -163.63406
   67    58 S   P1   _P1_    59     1.61274   119.16571   -99.71405
   68    67 S   O2Z  _O34    60     1.49926   115.57594    52.88012
   69    59 S   OS   _O54    69     1.62991    98.26938   176.09455
   70    69 S   HO   _H15    70     0.97910   115.96344   -74.25058
   71    66 S   P2   _P2_    49     1.63393   121.13028   102.37422
   72    71 S   O2Z  _O39    50     1.51315   107.73144   174.86252
   73    71 S   O2Z  _O38    51     1.51304   109.52871    42.20791
   74    67 S   OS   _O35    61     1.61413   103.98376   -73.39466
   75    74 S   HO   _H9_    62     0.97881   117.86644   171.67336
   76    67 S   OS   _O36    63     1.61313   103.61466   179.15212
   77    76 S   HO   _H10    64     0.97861   117.90766  -167.15598
   78    71 S   OS   _O40    52     1.62673    99.08824   -72.17122
   79    78 S   P2   _P3_    53     1.62421   130.75664  -179.78971
   80    79 S   O2Z  _O43    54     1.51151   109.67084   -73.62104
   81    79 S   O2Z  _O41    55     1.51121   109.84100    61.73654
   82    79 S   OS   _O42    56     1.63007    98.28661   173.78300
   83    82 S   HO   _H11    57     0.98225   116.82700   -78.35965
  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   8   4   3   2
  12   6   7   5   4   1   1   8   3   7   4   3   2   3   1   1
   1   5   5   4   1   1   7   3   2   3   1   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    56    57    66    71    58    45    42    46  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    51    45    52    42    46    47    48    54  
   40    41    43    56    45    42    46  
   41    43    44    49    50    56    58    51    59    45    52    53    62    64    42    46  
   43    44    49    51    45    52    42  
   46    47    48    54    55    43    45    56  
   44    49    50    56    57    66    58    67    51    59    60    61    69    45    52  
   49    50    56    58    51    59    45  
   52    53    62    63    64    65    49    51  
   47    48    54    55  
   48    54    55  
   54    55  
   50    56    57    66    71    58    67    68    74    76    51    59  
   56    57    66    58    67    51  
   59    60    61    69    70    56    58  
   53    62    63    64    65  
   62    63    64    65  
   55  
    0  
   57    66    71    72    73    78    58    67  
   66    71    58  
   67    68    74    75    76    77    66  
   60    61    69    70  
   61    69    70  
   69    70  
   63    64    65  
   64  
   65  
    0  
   71    72    73    78    79  
   68    74    75    76    77  
   74    75    76    77  
   70  
    0  
   72    73    78    79    80    81    82  
   73    78    79  
   78    79  
   75    76    77  
   76  
   77  
    0  
   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   0.212900   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  -0.461100   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   1.230700   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   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  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7400   0.2000   1.263600   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    56   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    56   268.000  1.529
   49    58   320.000  1.410
   56    57   340.000  1.090
   56    66   320.000  1.410
   66    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    78   230.000  1.697
   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
   58    67   405.000  1.623
   67    68   675.000  1.490
   67    74   405.000  1.623
   67    76   405.000  1.623
   74    75   553.000  0.945
   76    77   553.000  0.945
   51    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    69   230.000  1.697
   69    70   553.000  0.945
   45    52   405.000  1.623
   52    53   675.000  1.490
   52    62   405.000  1.623
   52    64   405.000  1.623
   62    63   553.000  0.945
   64    65   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    54   230.000  1.697
   54    55   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    56    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    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    66    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    75.00000  119.24600
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    56    58.35000  112.70000
   43    49    58    50.00000  109.50000
   43    51    59   100.00000  120.50000
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    66    50.00000  109.50000
   49    58    67    75.00000  119.24600
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    49    50    37.50000  110.70000
   56    66    71   100.00000  120.50000
   66    56    57    35.00000  109.50000
   66    71    72   100.00000  108.23000
   66    71    73   100.00000  108.23000
   66    71    78    45.00000  102.60000
   71    78    79    50.00000  132.62000
   73    71    72   140.00000  119.90000
   78    71    72   100.00000  108.23000
   78    71    73   100.00000  108.23000
   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
   58    49    50    35.00000  109.50000
   58    49    56    50.00000  109.50000
   58    67    68   100.00000  115.86100
   58    67    74   120.00000  102.38000
   58    67    76   120.00000  102.38000
   67    74    75    50.00000  113.86100
   67    76    77    50.00000  113.86100
   74    67    68   100.00000  115.86100
   76    67    68   100.00000  115.86100
   76    67    74   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  108.23000
   51    59    61   100.00000  108.23000
   51    59    69    45.00000  102.60000
   59    69    70    45.00000  108.50000
   61    59    60   140.00000  119.90000
   69    59    60   100.00000  108.23000
   69    59    61   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  115.86100
   45    52    62   120.00000  102.38000
   45    52    64   120.00000  102.38000
   52    62    63    50.00000  113.86100
   52    64    65    50.00000  113.86100
   62    52    53   100.00000  115.86100
   64    52    53   100.00000  115.86100
   64    52    62   120.00000  102.38000
   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    54    45.00000  102.60000
   46    54    55    45.00000  108.50000
   48    46    47   140.00000  119.90000
   54    46    47   100.00000  108.23000
   54    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   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    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.56750  1.0 1.0
   29    33    56    66  -0.07550 -1.0 2.0
   29    33    56    66   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    56    66    71  -2.65550  1.0 1.0
   33    56    66    71  -0.22350 -1.0 2.0
   33    56    66    71   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    56    49   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    66   0.23400  1.0 3.0
   38    33    56    49   0.56750  1.0 1.0
   38    33    56    49  -0.07550 -1.0 2.0
   38    33    56    49   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    66   0.62750  1.0 1.0
   38    33    56    66  -0.30950 -1.0 2.0
   38    33    56    66   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    54   0.05050  1.0 1.0
   38    42    46    54  -1.30700 -1.0 2.0
   38    42    46    54   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    56   0.56750  1.0 1.0
   40    43    49    56  -0.07550 -1.0 2.0
   40    43    49    56   0.20000  1.0 3.0
   40    43    49    58   0.62750  1.0 1.0
   40    43    49    58  -0.30950 -1.0 2.0
   40    43    49    58   0.27300  1.0 3.0
   40    43    51    59  -2.65550  1.0 1.0
   40    43    51    59  -0.22350 -1.0 2.0
   40    43    51    59   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    62   0.91800  1.0 1.0
   40    45    52    62   0.22900 -1.0 2.0
   40    45    52    62   0.32050  1.0 3.0
   40    45    52    64   0.91800  1.0 1.0
   40    45    52    64   0.22900 -1.0 2.0
   40    45    52    64   0.32050  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   -56    33   0.56750  1.0 1.0
   43    49   -56    33  -0.07550 -1.0 2.0
   43    49   -56    33   0.20000  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    66   0.62750  1.0 1.0
   43    49    56    66  -0.30950 -1.0 2.0
   43    49    56    66   0.27300  1.0 3.0
   43    49    58    67  -2.65550  1.0 1.0
   43    49    58    67  -0.22350 -1.0 2.0
   43    49    58    67   0.24150  1.0 3.0
   43    51    59    60   0.00000  1.0 1.0
   43    51    59    61   0.00000  1.0 1.0
   43    51    59    69   0.05050  1.0 1.0
   43    51    59    69  -1.30700 -1.0 2.0
   43    51    59    69   0.91550  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    49    58   0.23400  1.0 3.0
   44    43    51    59   0.03000  1.0 3.0
   49    43    51    59  -2.65550  1.0 1.0
   49    43    51    59  -0.22350 -1.0 2.0
   49    43    51    59   0.24150  1.0 3.0
   49    56    66    71  -2.65550  1.0 1.0
   49    56    66    71  -0.22350 -1.0 2.0
   49    56    66    71   0.24150  1.0 3.0
   49    58    67    68   0.00000  1.0 1.0
   49    58    67    74   0.91800  1.0 1.0
   49    58    67    74   0.22900 -1.0 2.0
   49    58    67    74   0.32050  1.0 3.0
   49    58    67    76   0.91800  1.0 1.0
   49    58    67    76   0.22900 -1.0 2.0
   49    58    67    76   0.32050  1.0 3.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    66   0.23400  1.0 3.0
   50    49    58    67   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    49    58    67  -2.65550  1.0 1.0
   56    49    58    67  -0.22350 -1.0 2.0
   56    49    58    67   0.24150  1.0 3.0
   56    66    71    72   0.00000  1.0 1.0
   56    66    71    73   0.00000  1.0 1.0
   56    66    71    78   0.05050  1.0 1.0
   56    66    71    78  -1.30700 -1.0 2.0
   56    66    71    78   0.91550  1.0 3.0
   57    56    66    71   0.03000  1.0 3.0
   66    71    78    79   0.15000  1.0 3.0
   71    78    79    80   0.50000  1.0 3.0
   71    78    79    81   0.50000  1.0 3.0
   71    78    79    82   0.15000  1.0 3.0
   72    71    78    79   0.50000  1.0 3.0
   73    71    78    79   0.50000  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
   58    49    56    33   0.62750  1.0 1.0
   58    49    56    33  -0.30950 -1.0 2.0
   58    49    56    33   0.27300  1.0 3.0
   58    49    56    57   0.23400  1.0 3.0
   58    49    56    66   1.11900  1.0 1.0
   58    49    56    66  -1.16350 -1.0 2.0
   58    49    56    66  -0.34150  1.0 3.0
   58    67    74    75  -0.22900  1.0 1.0
   58    67    74    75   0.09450 -1.0 2.0
   58    67    74    75  -0.07800  1.0 3.0
   58    67    76    77  -0.22900  1.0 1.0
   58    67    76    77   0.09450 -1.0 2.0
   58    67    76    77  -0.07800  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    76    77   0.00000  1.0 1.0
   74    67    76    77  -0.22900  1.0 1.0
   74    67    76    77   0.09450 -1.0 2.0
   74    67    76    77  -0.07800  1.0 3.0
   76    67    74    75  -0.22900  1.0 1.0
   76    67    74    75   0.09450 -1.0 2.0
   76    67    74    75  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    56   0.62750  1.0 1.0
   51    43    49    56  -0.30950 -1.0 2.0
   51    43    49    56   0.27300  1.0 3.0
   51    43    49    58   1.11900  1.0 1.0
   51    43    49    58  -1.16350 -1.0 2.0
   51    43    49    58  -0.34150  1.0 3.0
   51    59    69    70   0.00000  1.0 1.0
   60    59    69    70   0.00000  1.0 1.0
   61    59    69    70   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    62    63  -0.22900  1.0 1.0
   45    52    62    63   0.09450 -1.0 2.0
   45    52    62    63  -0.07800  1.0 3.0
   45    52    64    65  -0.22900  1.0 1.0
   45    52    64    65   0.09450 -1.0 2.0
   45    52    64    65  -0.07800  1.0 3.0
   53    52    62    63   0.00000  1.0 1.0
   53    52    64    65   0.00000  1.0 1.0
   62    52    64    65  -0.22900  1.0 1.0
   62    52    64    65   0.09450 -1.0 2.0
   62    52    64    65  -0.07800  1.0 3.0
   64    52    62    63  -0.22900  1.0 1.0
   64    52    62    63   0.09450 -1.0 2.0
   64    52    62    63  -0.07800  1.0 3.0
   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    54    55   0.00000  1.0 1.0
   47    46    54    55   0.00000  1.0 1.0
   48    46    54    55   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
