* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    236     445
    1     0 S   NP   _N1_     1    28.99855    97.63174   -21.04259
    2     1 S   H    _HN1     2     1.02779    96.00150   -96.75263
    3     1 S   H    _H1_     3     1.02948    66.16521    10.79089
    4     1 S   H    _H2_     4     1.02819    49.04227   154.60959
    5     1 S   CT   _CA1     5     1.50162   150.44030   100.23768
    6     5 S   HC   _HA1     6     1.09575   105.10653   100.13967
    7     5 S   CO3  _C1_     7     1.53866   112.56134   -19.85465
    8     7 S   O2Z  _O11     8     1.26384   114.85036   -37.36902
    9     7 S   O2Z  _O12     9     1.26247   115.00742   141.46490
   10     5 S   CT   _CB1    10     1.53091   107.35216  -141.88366
   11    10 S   HC   HB11    11     1.09826   109.42340   -48.82364
   12    10 S   HC   HB12    12     1.09804   110.47453    67.92014
   13    10 S   CT   _CG1    13     1.52843   112.42283  -169.74907
   14    13 S   HC   HG11    14     1.09575   110.44871   -68.17463
   15    13 S   HC   HG12    15     1.09677   109.72810    50.89248
   16    13 S   C    _CD1    16     1.51829   112.46080   171.64516
   17    16 S   O    _OE1    17     1.22702   123.41479    12.27973
   18    16 S   N    _N2_    18     1.38453   111.40219  -168.26901
   19    18 S   H    _HN2    19     1.01679   118.68656     1.23765
   20    18 S   CT1  _CA2    20     1.46092   124.33013  -179.48036
   21    20 S   HC   _HA2    21     1.09731   109.31765     6.37080
   22    20 S   C    _C2_    22     1.53575   108.98255  -109.34834
   23    22 S   O    _O2_    23     1.23092   122.23584  -149.47699
   24    20 S   CT   _CB2    32     1.53554   110.80915   128.39824
   25    24 S   HC   HB21    33     1.09296   109.44769    54.49661
   26    24 S   HC   HB22    34     1.09477   110.26900   173.30921
   27    22 S   N    _N3_    24     1.38347   113.87907    38.31450
   28    27 S   H    _HN3    25     1.01565   119.56989    -4.11556
   29    24 S   S    _SG2    35     1.82864   110.88055   -67.77125
   30    27 S   CT   _CA3    26     1.45274   123.15080   176.89745
   31    30 S   HC   HA31    27     1.09555   107.59122   -61.93220
   32    30 S   HC   HA32    28     1.09559   107.86332    54.45300
   33    29 S   CT   _C14    36     1.87170   102.73899   157.52171
   34    30 S   CO3  _C3_    29     1.52947   114.18320   176.36870
   35    34 S   O2Z  _O31    30     1.26367   116.12513    -1.12448
   36    34 S   O2Z  _O32    31     1.26443   114.39736   178.90371
   37    33 S   CT   _C13    37     1.59509   106.36057   161.22616
   38    37 S   HC   _H16    38     1.10114   107.02773   -55.08428
   39    37 S   HC   _H17    39     1.10073   106.96142  -167.12099
   40    33 S   CT   _C15    61     1.61889   115.63660   -74.69320
   41    40 S   OM   _O37    62     1.32594   110.95619    96.36209
   42    40 S   HC   _H5_    63     1.09714   102.92288  -139.59496
   43    33 S   CT   _C21    78     1.56419   107.13192    51.91114
   44    43 S   HC   _H20    79     1.09456   113.41548   -65.64856
   45    43 S   HC   _H21    80     1.09724   110.63491   174.12130
   46    43 S   HC   _H22    81     1.09726   111.63926    55.32169
   47    37 S   CT   _C12    40     1.54438   124.81149    68.55031
   48    47 S   HC   _H4_    41     1.09719   107.94758  -173.52337
   49    47 S   CM   _C11    42     1.47464   115.38515    64.81094
   50    49 S   HC   _H15    43     1.08103   123.97804    52.07855
   51    49 S   CM   _C10    44     1.32983   110.94440  -120.77131
   52    51 S   CO4  _C22    45     1.46930   106.59197    -6.04984
   53    52 S   O    _O39    46     1.21833   125.64599  -175.96192
   54    51 S   CT   _C9_    48     1.48092   128.25351   167.89637
   55    54 S   HC   _H13    49     1.09879   109.72290    21.57383
   56    54 S   HC   _H14    50     1.09669   109.22145   135.63413
   57    47 S   OS   _O38    47     1.42857   113.36641   -55.06651
   58    54 S   CT   _C8_    51     1.55417   114.48445  -100.63021
   59    58 S   HC   _H3_    52     1.09885   110.38677   -68.36467
   60    58 S   CT   _C17    53     1.56400   113.45596    54.52348
   61    60 S   HC   _H7_    54     1.09674   108.80179    44.81579
   62    58 S   OS   _O34    67     1.45324   106.43289   173.45665
   63    60 S   CM   _C18    55     1.49402   113.29251   167.71985
   64    62 S   CO4  _C7_    68     1.36100   117.32341    81.54448
   65    64 S   O    _O33    69     1.22231   125.95245    -1.84281
   66    63 S   CO4  _C20    56     1.47102   109.98703    99.96040
   67    66 S   O    _O35    57     1.21769   127.26538  -168.73406
   68    63 S   CM   _C19    64     1.33600   128.36974   -84.90765
   69    68 S   HC   _H18    65     1.08455   120.68026     2.20806
   70    68 S   HC   _H19    66     1.08487   121.78058  -177.41313
   71    64 S   CM   _C5_    70     1.48907   109.74597   178.86875
   72    66 S   OS   _O36    58     1.35849   107.03551    10.87124
   73    71 S   CM   _C6_    71     1.34157   117.28249  -173.77893
   74    73 S   HC   _H11    72     1.08541   120.99166  -179.69481
   75    73 S   HC   _H12    73     1.08556   122.41780     0.66146
   76    71 S   CT   _C4_    74     1.49682   120.29151     6.95993
   77    76 S   HC   _H8_    75     1.09406   110.53171   -65.88463
   78    76 S   HC   _H9_    76     1.09495   110.70367    54.78321
   79    76 S   HC   _H10    77     1.09544   111.85762   174.41938
   80    60 S   CT   _C16    59     1.54663   112.29827   -79.87845
   81    80 S   HC   _H6_    60     1.08435   109.05658    11.69807
  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  13   5   4   3
  18   2   1   1  17   7   6  15   6   5   5   2   1   1   8   5
   9   4  10   6   2  11   5   4   1  13   6  12   7   7   8   9
   3   7   3   4   1   1   7   2   6   2   1   3   2   1   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    80    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    57    60    72    80    81    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    57    80    40    41    42    43    44    45    46  
   39    47    48    49    57    40    43  
   47    48    49    57    40    43  
   41    42    43    44    45    46    47    58    60    61    63    66    72    80    81  
   42    43    60    72    80    81  
   43    60    72    80    81  
   44    45    46    47    80  
   45    46  
   46  
    0  
   48    49    50    51    52    53    57    54  
   49    50    51    52    57  
   50    51    52    53    57    54    55    56    58  
   51    52    57    54  
   52    53    57    54    55    56    58    59    60    62  
   53    57    54    55    56    58  
   57    54  
   55    56    58    59    60    61    63    80    62    64    57  
   56    58    59    60    62  
   58    59    60    62  
    0  
   59    60    61    63    66    72    80    81    68    62    64    65    71  
   60    61    63    80    62    64  
   61    63    66    67    72    80    81    68    69    70    62    64  
   63    66    72    80    81    68    62  
   64    65    71    73    76    63    80  
   66    67    72    80    81    68    69    70  
   65    71    73    74    75    76    77    78    79  
   71    73    76  
   67    72    80    81    68    69    70  
   72    80    68  
   69    70    72    80  
   70  
    0  
   73    74    75    76    77    78    79  
   80    81  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    57   320.000  1.410
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   320.000  1.462
   51    54   317.000  1.510
   52    53   570.000  1.229
   52    57   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    80   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    80   320.000  1.410
   80    81   340.000  1.090
   80    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   320.000  1.462
   71    73   549.000  1.340
   71    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    70.00000  112.02700
   37    47    57    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    35.00000  117.00000
   47    49    51    70.00000  124.00000
   47    57    52    83.00000  116.90000
   49    47    48    35.00000  109.50000
   49    51    52    65.00000  118.96000
   49    51    54    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    80.00000  123.72100
   51    52    57    90.00000  111.29400
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    58    70.00000  112.02700
   57    47    48    35.00000  109.50000
   57    47    49    85.00000  110.90400
   57    52    53    83.00000  123.40000
   54    51    52    65.00000  116.34900
   54    58    59    37.50000  110.70000
   54    58    60    58.35000  112.70000
   54    58    62    50.00000  109.50000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    63    70.00000  112.02700
   58    60    80    58.35000  112.70000
   58    62    64    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    80    72    50.00000  109.50000
   60    80    81    37.50000  110.70000
   60    80    40    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    72    80    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    80    81    35.00000  109.50000
   72    80    40    50.00000  109.50000
   80    60    61    37.50000  110.70000
   80    60    63    70.00000  112.02700
   80    40    41    50.00000  109.50000
   80    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   42    40    41    45.00000  125.66300
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    90.00000  111.29400
   64    71    73    65.00000  118.96000
   64    71    76    65.00000  116.34900
   71    64    65    80.00000  123.72100
   71    73    74    35.00000  120.00000
   71    73    75    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   75    73    74    35.00000  117.00000
   76    71    73    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.34400  1.0 1.0
   33    37    47    49   0.09450 -1.0 2.0
   33    37    47    49   0.11100  1.0 3.0
   33    37    47    57   0.62750  1.0 1.0
   33    37    47    57  -0.30950 -1.0 2.0
   33    37    47    57   0.27300  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.09850  1.0 1.0
   37    47    49    51   0.15250 -1.0 2.0
   37    47    49    51  -0.50650  1.0 3.0
   37    47    57    52  -0.25900  1.0 1.0
   37    47    57    52  -0.47000 -1.0 2.0
   37    47    57    52   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    57   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    57   0.23400  1.0 3.0
   47    49   -51    52   7.00000 -1.0 2.0
   47    49    51    54   7.00000 -1.0 2.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    57    52   0.08050  1.0 3.0
   49    47   -57    52  -0.82050  1.0 1.0
   49    47   -57    52   0.00600 -1.0 2.0
   49    47   -57    52   0.04400  1.0 3.0
   49    51    52    53   1.00000 -1.0 2.0
   49    51   -52    57  -0.56150  1.0 1.0
   49    51   -52    57   2.19150 -1.0 2.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.00000  1.0 1.0
   49    51    54    58   0.09850  1.0 1.0
   49    51    54    58   0.15250 -1.0 2.0
   49    51    54    58  -0.50650  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    54   7.00000 -1.0 2.0
   51    52   -57    47   2.00000 -1.0 2.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.34400  1.0 1.0
   51    54    58    60   0.09450 -1.0 2.0
   51    54    58    60   0.11100  1.0 3.0
   51    54    58    62   0.61850  1.0 1.0
   51    54    58    62  -0.22750 -1.0 2.0
   51    54    58    62   0.15300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.09700  1.0 1.0
   52    51    54    58   0.15600 -1.0 2.0
   52    51    54    58  -0.50800  1.0 3.0
   53    52    57    47   3.00000 -1.0 2.0
   57    47    49    50   0.00000  1.0 1.0
   57    47   -49    51   0.39000  1.0 1.0
   57    47   -49    51  -0.05800 -1.0 2.0
   57    47   -49    51  -0.55150  1.0 3.0
   54    51    52    53  -0.64400  1.0 1.0
   54    51    52    53   0.26850 -1.0 2.0
   54    51    52    57  -0.15000  1.0 1.0
   54    51    52    57   0.89550 -1.0 2.0
   54    51    52    57  -0.06900  1.0 3.0
   54    58    60    61   0.15000  1.0 3.0
   54    58    60    63   0.34400  1.0 1.0
   54    58    60    63   0.09450 -1.0 2.0
   54    58    60    63   0.11100  1.0 3.0
   54    58    60    80   0.56750  1.0 1.0
   54    58    60    80  -0.07550 -1.0 2.0
   54    58    60    80   0.20000  1.0 3.0
   54    58    62    64  -0.25900  1.0 1.0
   54    58    62    64  -0.47000 -1.0 2.0
   54    58    62    64   0.11750  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.23400  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    62   0.23400  1.0 3.0
   58    60    63    66   0.09700  1.0 1.0
   58    60    63    66   0.15600 -1.0 2.0
   58    60    63    66  -0.50800  1.0 3.0
   58    60    63    68   0.09850  1.0 1.0
   58    60    63    68   0.15250 -1.0 2.0
   58    60    63    68  -0.50650  1.0 3.0
   58    60    80    72   0.62750  1.0 1.0
   58    60    80    72  -0.30950 -1.0 2.0
   58    60    80    72   0.27300  1.0 3.0
   58    60    80    81   0.15000  1.0 3.0
   58    60    80    40   0.56750  1.0 1.0
   58    60    80    40  -0.07550 -1.0 2.0
   58    60    80    40   0.20000  1.0 3.0
   58    62    64    65   3.00000 -1.0 2.0
   58    62    64    71   2.00000 -1.0 2.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    80   0.15000  1.0 3.0
   59    58    62    64   0.08050  1.0 3.0
   60    58    62    64  -0.25900  1.0 1.0
   60    58    62    64  -0.47000 -1.0 2.0
   60    58    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    72  -0.15000  1.0 1.0
   60    63   -66    72   0.89550 -1.0 2.0
   60    63   -66    72  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    80    40    33   0.56750  1.0 1.0
   60    80    40    33  -0.07550 -1.0 2.0
   60    80    40    33   0.20000  1.0 3.0
   60    80    40    41   0.62750  1.0 1.0
   60    80    40    41  -0.30950 -1.0 2.0
   60    80    40    41   0.27300  1.0 3.0
   60    80    40    42   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    80    72   0.23400  1.0 3.0
   61    60    80    81   0.15000  1.0 3.0
   61    60    80    40   0.15000  1.0 3.0
   63    60   -80    72   0.61850  1.0 1.0
   63    60   -80    72  -0.22750 -1.0 2.0
   63    60   -80    72   0.15300  1.0 3.0
   63    60    80    81   0.15000  1.0 3.0
   63    60    80    40   0.34400  1.0 1.0
   63    60    80    40   0.09450 -1.0 2.0
   63    60    80    40   0.11100  1.0 3.0
   63    66   -72    80   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    72   -80    60  -0.25900  1.0 1.0
   66    72   -80    60  -0.47000 -1.0 2.0
   66    72   -80    60   0.11750  1.0 3.0
   66    72    80    81   0.08050  1.0 3.0
   66    72    80    40  -0.25900  1.0 1.0
   66    72    80    40  -0.47000 -1.0 2.0
   66    72    80    40   0.11750  1.0 3.0
   67    66    72    80   3.00000 -1.0 2.0
   72    80    40    33   0.62750  1.0 1.0
   72    80    40    33  -0.30950 -1.0 2.0
   72    80    40    33   0.27300  1.0 3.0
   72    80    40    41   1.11900  1.0 1.0
   72    80    40    41  -1.16350 -1.0 2.0
   72    80    40    41  -0.34150  1.0 3.0
   72    80    40    42   0.23400  1.0 3.0
   80    60   -63    66   0.09700  1.0 1.0
   80    60   -63    66   0.15600 -1.0 2.0
   80    60   -63    66  -0.50800  1.0 3.0
   80    60    63    68   0.09850  1.0 1.0
   80    60    63    68   0.15250 -1.0 2.0
   80    60    63    68  -0.50650  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.23400  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    63   0.61850  1.0 1.0
   62    58    60    63  -0.22750 -1.0 2.0
   62    58    60    63   0.15300  1.0 3.0
   62    58    60    80   0.62750  1.0 1.0
   62    58    60    80  -0.30950 -1.0 2.0
   62    58    60    80   0.27300  1.0 3.0
   62    64    71    73  -0.56150  1.0 1.0
   62    64    71    73   2.19150 -1.0 2.0
   62    64    71    76  -0.15000  1.0 1.0
   62    64    71    76   0.89550 -1.0 2.0
   62    64    71    76  -0.06900  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    75   7.00000 -1.0 2.0
   64    71    76    77   0.15000  1.0 3.0
   64    71    76    78   0.15000  1.0 3.0
   64    71    76    79   0.15000  1.0 3.0
   65    64    71    73   1.00000 -1.0 2.0
   65    64    71    76  -0.64400  1.0 1.0
   65    64    71    76   0.26850 -1.0 2.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   73    71    76    79   0.00000  1.0 1.0
   76    71    73    74   7.00000 -1.0 2.0
   76    71    73    75   7.00000 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    80   0.56750  1.0 1.0
   43    33    40    80  -0.07550 -1.0 2.0
   43    33    40    80   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   47    50    49    51   1.10000 -1.0 2.0
   52    54    51    49   1.10000 -1.0 2.0
   51    57    52    53  10.50000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
   64    76    71    73  15.00000 -1.0 2.0
   74    75    73    71  15.00000 -1.0 2.0
END
