* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    152    227     435
    1     0 S   NP   _N1_     1    28.67699    94.95576   -19.61700
    2     1 S   H    _HN1     2     1.02779    85.07881   -66.74608
    3     1 S   H    _H1_     3     1.02960    92.12661    41.44562
    4     1 S   H    _H2_     4     1.02835    33.58628   159.84427
    5     1 S   CT   _CA1     5     1.50139   143.94437   171.49813
    6     5 S   HC   _HA1     6     1.09594   105.15304    52.19487
    7     5 S   CO3  _C1_     7     1.53645   112.31418   -67.68339
    8     7 S   O2Z  _O11     8     1.26330   115.04251   -46.88306
    9     7 S   O2Z  _O12     9     1.26244   114.80948   131.99882
   10     5 S   CT   _CB1    10     1.53058   107.37544   169.70062
   11    10 S   HC   HB11    11     1.09813   108.80673   -53.43113
   12    10 S   HC   HB12    12     1.09818   110.60360    62.89471
   13    10 S   CT   _CG1    13     1.53061   112.87602  -174.79835
   14    13 S   HC   HG11    14     1.09587   110.23947   -68.80626
   15    13 S   HC   HG12    15     1.09656   110.12568    50.32123
   16    13 S   C    _CD1    16     1.51892   112.25167   170.05268
   17    16 S   O    _OE1    17     1.22758   123.13019    -9.19332
   18    16 S   N    _N2_    18     1.38652   111.90200   172.13725
   19    18 S   H    _HN2    19     1.01591   119.07161    -1.32145
   20    18 S   CT1  _CA2    20     1.46274   123.20176   177.36693
   21    20 S   HC   _HA2    21     1.09754   109.16309   -14.89408
   22    20 S   C    _C2_    22     1.53478   108.19164  -130.22671
   23    22 S   O    _O2_    23     1.23012   122.28291  -146.08532
   24    20 S   CT   _CB2    32     1.53442   112.14357   107.27095
   25    24 S   HC   HB21    33     1.09593   110.07391    55.47919
   26    24 S   HC   HB22    34     1.09454   110.01943   174.48431
   27    22 S   N    _N3_    24     1.38522   113.34366    41.28789
   28    27 S   H    _HN3    25     1.01529   118.91497    -0.61580
   29    24 S   S    _SG2    35     1.82534   111.90167   -65.35941
   30    27 S   CT   _CA3    26     1.45453   123.48523   175.01064
   31    30 S   HC   HA31    27     1.09520   109.26674    23.73337
   32    30 S   HC   HA32    28     1.09495   107.11299   140.76230
   33    29 S   CT   _C19    36     1.85454    99.72299  -178.64419
   34    33 S   HC   _H3_    37     1.09864   105.72770   -29.66083
   35    30 S   CO3  _C3_    29     1.52932   113.10441   -99.75111
   36    35 S   O2Z  _O31    30     1.26404   115.41511   -43.66996
   37    35 S   O2Z  _O32    31     1.26355   114.97109   137.24523
   38    33 S   CT   _C18    38     1.54714   110.55359    85.06794
   39    38 S   HC   _H38    39     1.09926   107.46332   -60.04423
   40    38 S   CO4  _C12    40     1.51936   107.29789  -173.69491
   41    40 S   O    _O22    41     1.23024   121.91856   144.92266
   42    38 S   CT   _C24    77     1.54212   116.81752    63.28897
   43    42 S   HC   _H49    78     1.09636   110.67546    74.24616
   44    42 S   HC   _H50    79     1.09479   110.96441   -44.20906
   45    40 S   CM   _C10    42     1.48369   118.83268   -37.65190
   46    45 S   HC   _H31    43     1.08357   114.74065  -170.93521
   47    42 S   CM   _C15    80     1.50542   112.01992  -163.50979
   48    47 S   HC   _H35    81     1.08724   117.20012    62.11551
   49    45 S   CM   _C11    44     1.34594   122.24079     8.03109
   50    47 S   CM   _C13    82     1.33794   124.09107  -118.55940
   51    50 S   HC   _H32    83     1.08469   120.46990  -179.73166
   52    50 S   HC   _H33    84     1.08447   121.60942     0.46013
   53    33 S   CT   _C20    45     1.57588   112.78832  -146.83850
   54    49 S   OS   _O25    72     1.38827   124.09634  -178.61182
   55    53 S   CM   _C16    46     1.56467   107.66293    62.87697
   56    53 S   OS   _O26    67     1.44835   105.93632   -56.49833
   57    54 S   CT   _C22    73     1.42200   118.52285     1.18960
   58    57 S   HC   _H43    74     1.09404   107.83771   179.38643
   59    57 S   HC   _H44    75     1.09473   110.99710    61.44563
   60    57 S   HC   _H45    76     1.09469   110.96521   -62.70748
   61    55 S   CM   _C14    47     1.35224   122.06698  -108.44842
   62    61 S   HC   _H34    48     1.08662   120.79368    -1.79733
   63    55 S   CT   _C21    63     1.51832   116.36545    69.13239
   64    63 S   HC   _H40    64     1.09440   110.34464   -77.93002
   65    63 S   HC   _H41    65     1.09411   112.73583   161.41303
   66    63 S   HC   _H42    66     1.09307   112.01457    42.57146
   67    56 S   CT   _C23    68     1.42130   118.42083  -162.50173
   68    67 S   HC   _H46    69     1.09378   107.77266  -168.26216
   69    67 S   HC   _H47    70     1.09369   110.54395    74.50968
   70    67 S   HC   _H48    71     1.09308   112.16276   -49.35845
   71    61 S   CA   _C7_    49     1.46790   126.16104   175.74881
   72    71 S   CA   _C4_    50     1.41101   119.28252   116.18416
   73    72 S   HA   _H28    51     1.08796   120.25406    -0.69097
   74    72 S   CA   _C5_    52     1.39801   120.74547   179.59749
   75    74 S   HA   _H29    53     1.08401   120.88369   179.74359
   76    74 S   CA   _C8_    54     1.37890   117.75180    -0.22381
   77    76 S   CA   _C9_    55     1.37516   121.76274    -0.24228
   78    71 S   CA   _C6_    56     1.40327   120.65677   -65.18624
   79    78 S   HA   _H30    57     1.08513   121.57139     0.42428
   80    77 S   OS   _O24    58     1.36052   112.37814   179.80820
   81    80 S   CO   _C17    59     1.44216   100.94197     0.86321
   82    81 S   HC   _H36    60     1.09603   108.57483  -122.06924
   83    81 S   HC   _H37    61     1.09567   108.93977   119.80076
   84    76 S   OS   _O23    62     1.36068   125.87984   179.69739
  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
  18   8   2   1   1  15   8  10   4   9   4   3   7   3   4   3
  11   2   1   1  15   6  11   6   3   2   1   1  12   4   4   2
   1   1   3   2   1   1   9   8   4   7   3   8   7   4   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    53    55    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    49    53    55    61    63    56    67    54    42    43    44    47  
   38    39    40    49    53    55    56    42  
   36    37  
   37  
    0  
   39    40    41    45    46    49    53    55    56    42    43    44    47    48    50  
   40    41    45    53    42    43    44    47  
   41    45    46    49    53    54    42    43    44    47  
   45    46    49    42  
   43    44    47    48    50    51    52    45    53  
   44    47    48    50  
   47    48    50  
   46    49    53    55    56    54    57  
   49    53    54  
   48    50    51    52  
   50    51    52  
   53    55    61    63    56    67    54    57    58    59    60  
   51    52  
   52  
    0  
   55    61    62    71    63    64    65    66    56    67    68    69    70    54    57  
   57    58    59    60    55    56  
   61    62    71    72    78    63    64    65    66    56    67  
   67    68    69    70    61    63  
   58    59    60  
   59    60  
   60  
    0  
   62    71    72    73    74    77    78    79    63    64    65    66  
   71    72    78    63  
   64    65    66    71  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    84  
   74    75    76    78  
   75    76    77    78    80    81    84  
   76    77    84  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    84  
   80  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    53   317.000  1.510
   49    54   440.000  1.360
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    61   549.000  1.340
   55    63   317.000  1.510
   61    62   340.000  1.080
   61    71   320.000  1.460
   71    72   469.000  1.400
   71    78   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    84   450.000  1.364
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   80    81   320.000  1.380
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    53    49    70.00000  112.02700
   33    53    55    70.00000  112.02700
   33    53    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    49    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    49    53    70.00000  124.00000
   45    49    54    80.00000  120.01400
   49    45    46    35.00000  120.00000
   49    53    55    70.00000  110.12100
   49    53    56    85.00000  110.90400
   49    54    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    55    61    70.00000  124.00000
   53    55    63    65.00000  117.92700
   53    56    67    60.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    71    60.00000  123.20500
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    71    72    60.00000  120.93500
   61    71    78    60.00000  120.93500
   71    61    62    40.00000  117.26300
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    78    77    63.00000  120.00000
   71    78    79    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    84    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    80    70.00000  120.00000
   76    84    81   100.00000  112.36700
   77    78    79    35.00000  120.00000
   77    80    81   100.00000  112.36700
   78    71    72    63.00000  120.00000
   80    77    78    70.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    92.60000  111.55000
   83    81    82    33.00000  109.50000
   84    76    77    70.00000  120.00000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   63    55    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    53    55    85.00000  110.90400
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    49    53    85.00000  112.85300
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    35.00000  117.00000
   42    47    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   0.20000  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    53    55    61   0.09850  1.0 1.0
   33    53    55    61   0.15250 -1.0 2.0
   33    53    55    61  -0.50650  1.0 3.0
   33    53    55    63   0.46850  1.0 1.0
   33    53    55    63   0.08550 -1.0 2.0
   33    53    55    63   0.09800  1.0 3.0
   33    53    56    67   0.06250  1.0 1.0
   33    53    56    67  -0.01100 -1.0 2.0
   33    53    56    67   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    55   0.34400  1.0 1.0
   38    33    53    55   0.09450 -1.0 2.0
   38    33    53    55   0.11100  1.0 3.0
   38    33    53    56   0.62750  1.0 1.0
   38    33    53    56  -0.30950 -1.0 2.0
   38    33    53    56   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    49  -0.33500  1.0 1.0
   38    40   -45    49   1.06600 -1.0 2.0
   38    40   -45    49  -0.14000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    50   0.09850  1.0 1.0
   38    42    47    50   0.15250 -1.0 2.0
   38    42    47    50  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.98800  1.0 1.0
   40    38    42    47   0.48800 -1.0 2.0
   40    38    42    47   0.76800  1.0 3.0
   40    45    49    53   7.00000 -1.0 2.0
   40    45    49    54   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   1.00000 -1.0 2.0
   45    49   -53    33   0.09850  1.0 1.0
   45    49   -53    33   0.15250 -1.0 2.0
   45    49   -53    33  -0.50650  1.0 3.0
   45    49    53    55  -0.28300  1.0 1.0
   45    49    53    55   0.26700 -1.0 2.0
   45    49    53    55  -0.63300  1.0 3.0
   45    49    53    56   0.39000  1.0 1.0
   45    49    53    56  -0.05800 -1.0 2.0
   45    49    53    56  -0.55150  1.0 3.0
   45    49    54    57  -2.26850  1.0 1.0
   45    49    54    57   3.39050 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   46    45    49    54   7.00000 -1.0 2.0
   49    53    55    61  -0.28300  1.0 1.0
   49    53    55    61   0.26700 -1.0 2.0
   49    53    55    61  -0.63300  1.0 3.0
   49    53    55    63   0.09700  1.0 1.0
   49    53    55    63   0.15600 -1.0 2.0
   49    53    55    63  -0.50800  1.0 3.0
   49    53    56    67  -0.77900  1.0 1.0
   49    53    56    67  -0.36900 -1.0 2.0
   49    53    56    67   0.40400  1.0 3.0
   49    54    57    58   0.08050  1.0 3.0
   49    54    57    59   0.08050  1.0 3.0
   49    54    57    60   0.08050  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40  -0.95700  1.0 1.0
   53    33   -38    40  -0.18200 -1.0 2.0
   53    33   -38    40   0.29450  1.0 3.0
   53    33    38    42   0.56750  1.0 1.0
   53    33    38    42  -0.07550 -1.0 2.0
   53    33    38    42   0.20000  1.0 3.0
   53    49    54    57   2.00000 -1.0 2.0
   53    55    61    62   7.00000 -1.0 2.0
   53    55    61    71   7.00000 -1.0 2.0
   53    55    63    64   0.34800  1.0 3.0
   53    55    63    65   0.34800  1.0 3.0
   53    55    63    66   0.34800  1.0 3.0
   53    56    67    68   0.37050  1.0 3.0
   53    56    67    69   0.37050  1.0 3.0
   53    56    67    70   0.37050  1.0 3.0
   55    53    56    67  -0.77900  1.0 1.0
   55    53    56    67  -0.36900 -1.0 2.0
   55    53    56    67   0.40400  1.0 3.0
   55    61    71    72   0.15800  1.0 1.0
   55    61    71    72   1.85350 -1.0 2.0
   55    61    71    72  -0.48700  1.0 3.0
   55    61    71    78   0.15800  1.0 1.0
   55    61    71    78   1.85350 -1.0 2.0
   55    61    71    78  -0.48700  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    63    66   0.00000  1.0 1.0
   61    71    72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   61    71    78    77   3.62500 -1.0 2.0
   61    71    78    79   3.62500 -1.0 2.0
   62    61    71    72   0.56550  1.0 3.0
   62    61    71    78   0.56550  1.0 3.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    78    77   3.62500 -1.0 2.0
   72    71    78    79   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    84   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    84    81   1.63200 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    84   3.62500 -1.0 2.0
   76    77   -78    71   3.62500 -1.0 2.0
   76    77    78    79   3.62500 -1.0 2.0
   76    77   -80    81   1.63200 -1.0 2.0
   77    76   -84    81   1.63200 -1.0 2.0
   77    80    81    82   0.08050  1.0 3.0
   77    80    81    83   0.08050  1.0 3.0
   77    80   -81    84  -0.25600  1.0 1.0
   77    80   -81    84  -0.40050 -1.0 2.0
   77    80   -81    84   0.34700  1.0 3.0
   78    71    72    73   3.62500 -1.0 2.0
   78    71   -72    74   3.62500 -1.0 2.0
   78    77    80    81   1.63200 -1.0 2.0
   80    77    78    71   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    81   -84    76  -0.25600  1.0 1.0
   80    81   -84    76  -0.40050 -1.0 2.0
   80    81   -84    76   0.34700  1.0 3.0
   82    81    84    76   0.08050  1.0 3.0
   83    81    84    76   0.08050  1.0 3.0
   84    76    77    78   3.62500 -1.0 2.0
   84    76   -77    80   3.62500 -1.0 2.0
   63    55    61    62   7.00000 -1.0 2.0
   63    55    61    71   7.00000 -1.0 2.0
   56    53    55    61   0.39000  1.0 1.0
   56    53    55    61  -0.05800 -1.0 2.0
   56    53    55    61  -0.55150  1.0 3.0
   56    53    55    63   0.09700  1.0 1.0
   56    53    55    63   0.15600 -1.0 2.0
   56    53    55    63  -0.50800  1.0 3.0
   54    49    53    33   0.09700  1.0 1.0
   54    49    53    33   0.15600 -1.0 2.0
   54    49    53    33  -0.50800  1.0 3.0
   54    49    53    55   0.09700  1.0 1.0
   54    49    53    55   0.15600 -1.0 2.0
   54    49    53    55  -0.50800  1.0 3.0
   54    49    53    56   0.09700  1.0 1.0
   54    49    53    56   0.15600 -1.0 2.0
   54    49    53    56  -0.50800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    52   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    50   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   40    46    45    49   1.10000 -1.0 2.0
   53    54    49    45   1.10000 -1.0 2.0
   53    63    55    61  15.00000 -1.0 2.0
   71    62    61    55  15.00000 -1.0 2.0
   72    78    71    61   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    84    76    74   4.00000 -1.0 2.0
   78    80    77    76   4.00000 -1.0 2.0
   77    79    78    71   1.10000 -1.0 2.0
   42    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
