* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    197    307     585
    1     0 S   NP   _N1_     1    28.40790    99.90179   -23.18438
    2     1 S   H    _HN1     2     1.02777   105.61380   -97.14954
    3     1 S   H    _H1_     3     1.02957    57.18385     4.88279
    4     1 S   H    _H2_     4     1.02835    53.08474   161.95803
    5     1 S   CT   _CA1     5     1.50149   142.08594    86.06704
    6     5 S   HC   _HA1     6     1.09576   105.18677   115.22040
    7     5 S   CO3  _C1_     7     1.53760   112.31784    -4.92028
    8     7 S   O2Z  _O11     8     1.26367   114.98783   -44.39286
    9     7 S   O2Z  _O12     9     1.26226   114.92013   134.54289
   10     5 S   CT   _CB1    10     1.53079   107.40497  -126.91269
   11    10 S   HC   HB11    11     1.09832   109.25887   -50.39221
   12    10 S   HC   HB12    12     1.09814   110.46185    66.13235
   13    10 S   CT   _CG1    13     1.53050   112.72930  -171.44264
   14    13 S   HC   HG11    14     1.09588   110.55553   -65.94423
   15    13 S   HC   HG12    15     1.09661   109.86793    53.28734
   16    13 S   C    _CD1    16     1.51859   112.18224   173.61334
   17    16 S   O    _OE1    17     1.22775   123.24098     3.88514
   18    16 S   N    _N2_    18     1.38567   111.85348  -176.08498
   19    18 S   H    _HN2    19     1.01575   119.12542     3.36464
   20    18 S   CT1  _CA2    20     1.45805   122.70676   177.11608
   21    20 S   HC   _HA2    21     1.09736   108.84097    26.63716
   22    20 S   C    _C2_    22     1.52966   107.09245   -90.36449
   23    22 S   O    _O2_    23     1.22970   123.10656   -26.45482
   24    20 S   CT   _CB2    32     1.53109   112.36036   149.86775
   25    24 S   HC   HB21    33     1.09535   110.26098    54.22805
   26    24 S   HC   HB22    34     1.09537   110.17335   173.18975
   27    22 S   N    _N3_    24     1.38508   112.50634   156.28056
   28    27 S   H    _HN3    25     1.01651   120.34241    -2.34802
   29    24 S   S    _SG2    35     1.82441   111.32294   -66.92539
   30    27 S   CT   _CA3    26     1.45353   122.53118   178.54977
   31    30 S   HC   HA31    27     1.09566   107.87560   -54.51376
   32    30 S   HC   HA32    28     1.09559   107.56457    61.84406
   33    29 S   CT   _C20    36     1.86478    99.17879  -179.85196
   34    33 S   HC   _H11    37     1.09582   107.61893    13.22189
   35    30 S   CO3  _C3_    29     1.52898   114.27680  -176.44103
   36    35 S   O2Z  _O31    30     1.26343   116.04434     0.41117
   37    35 S   O2Z  _O32    31     1.26431   114.41923  -179.64502
   38    33 S   CM   _C19    38     1.51519   106.93884  -104.18082
   39    38 S   CMA  _C18    39     1.36217   126.44136  -115.18424
   40    39 S   OM   _O36    40     1.25913   126.08703   170.14328
   41    38 S   OS   _O35    96     1.39883   113.81070    59.35655
   42    39 S   CT   _C17    41     1.60302   120.39354    -9.80809
   43    41 S   CT   _C21    97     1.42643   110.54159    89.13426
   44    43 S   HC   _H19    98     1.09395   107.83815   177.37572
   45    43 S   HC   _H20    99     1.09529   111.38909    58.91742
   46    43 S   HC   _H21   100     1.09463   111.17777   -64.41424
   47    42 S   CT   _C6_    42     1.59718   103.68757    34.21198
   48    47 S   HC   _H4_    43     1.10115   106.40592    54.14120
   49    42 S   CT   _C22    92     1.55612   105.56696   -82.79454
   50    49 S   HC   _H22    93     1.09041   112.30335   158.86427
   51    49 S   HC   _H23    94     1.09637   112.51413    38.67431
   52    49 S   HC   _H24    95     1.09162   112.33451   -79.23239
   53    47 S   CT   _C7_    44     1.53039   115.04896   169.73912
   54    53 S   HC   _H15    45     1.09355   110.96132    68.97217
   55    53 S   HC   _H16    46     1.09675   109.17620  -174.17462
   56    33 S   CT   _C5_    86     1.54628   111.99770   130.60037
   57    56 S   HC   _H3_    87     1.09645   106.75853  -156.79416
   58    53 S   CT   _C8_    47     1.52240   111.35368   -56.89763
   59    58 S   HC   _H5_    48     1.09837   107.67937  -176.26566
   60    56 S   CT   _C4_    88     1.53783   113.24267   -43.77750
   61    60 S   HC   _H12    89     1.09438   112.42319    76.50954
   62    60 S   HC   _H13    90     1.09572   110.81643   -45.18355
   63    60 S   HC   _H14    91     1.09559   110.65210  -163.14224
   64    58 S   CT   _C9_    49     1.52972   111.59133    62.39942
   65    64 S   CT   _C10    50     1.55921   105.96013  -175.85646
   66    65 S   HC   _H6_    51     1.10135   107.52222   -61.00813
   67    64 S   CT   _C27    82     1.56005   106.92527    69.26387
   68    67 S   HC   _H34    83     1.08867   113.25559   -63.22793
   69    67 S   HC   _H35    84     1.09140   113.97659   175.02205
   70    67 S   HC   _H36    85     1.09742   110.32799    55.88484
   71    65 S   CT   _C11    52     1.53215   111.90645    54.75702
   72    71 S   HC   _H17    53     1.09703   108.68171  -162.27589
   73    71 S   HC   _H18    54     1.09490   111.51629    79.68774
   74    65 S   CT   _C13    58     1.54885   111.81963  -177.70911
   75    74 S   HC   _H7_    59     1.09571   106.93859    69.50215
   76    71 S   CO4  _C12    55     1.50237   115.78422   -42.77594
   77    76 S   O    _O33    56     1.22897   121.13603  -159.07489
   78    74 S   CT   _C14    60     1.54365   112.46406   -49.76475
   79    78 S   HC   _H8_    61     1.09834   107.58978   -72.80319
   80    74 S   CT   _C26    78     1.53721   112.50750  -176.03345
   81    80 S   HC   _H31    79     1.09476   111.80583    70.57170
   82    80 S   HC   _H32    80     1.09518   110.69461   -50.33782
   83    80 S   HC   _H33    81     1.09456   111.18321  -169.55424
   84    58 S   OS   _O34    57     1.44406   107.20388   -62.99395
   85    78 S   CT   _C15    62     1.55744   115.33447    45.24460
   86    85 S   HC   _H9_    63     1.09106   110.24247    70.12112
   87    78 S   OS   _O39    73     1.44064   112.28153   174.21365
   88    42 S   CT   _C16    64     1.64232   117.31684   155.79175
   89    88 S   HC   _H10    65     1.09808   102.42318   -39.63680
   90    85 S   OS   _O37    66     1.44460   104.99483  -173.68329
   91    87 S   CT   _C25    74     1.42023   116.85803   -56.56004
   92    91 S   HC   _H28    75     1.09368   107.91695  -163.78009
   93    91 S   HC   _H29    76     1.09307   110.44170    78.88634
   94    91 S   HC   _H30    77     1.09164   112.59819   -44.24097
   95    90 S   CO4  _C23    67     1.36239   119.43214  -102.60849
   96    95 S   O    _O38    68     1.22380   126.77427    -3.05031
   97    95 S   CT   _C24    69     1.49908   109.74781   178.08092
   98    97 S   HC   _H25    70     1.09348   110.16391   -43.40278
   99    97 S   HC   _H26    71     1.09383   109.22394  -161.57750
  100    97 S   HC   _H27    72     1.09210   109.84723    78.55561
  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   9   5   4   3
  16   7   2   1   1  14  16   5   6  22   3   2   1   1  21   9
   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1  20
  23  10   9   3   2   1  10   5   4  14   8   2   1  16   7   5
   2   1   1   1   9   5   6   3   1   6   3   2   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    47    56    57    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    48    53    56    57    60    61    62    63    41    43  
   38    39    47    56    57    60    41  
   36    37  
   37  
    0  
   39    40    42    47    88    56    57    60    49    41    43    44    45    46  
   40    42    47    48    53    64    85    88    89    56    49    50    51    52    41    43  
   42    47    88    49    41  
   43    44    45    46    42    56  
   47    48    53    54    55    58    64    65    78    85    86    88    89    90    67    56    57    60    49    50    51    52  
   44    45    46  
   45    46  
   46  
    0  
   48    53    54    55    58    59    64    84    85    88    89    56    57    60    61    62    63    49    50    51    52  
   53    54    55    58    88    56    57    60    49  
   50    51    52    53    56    64    85    88    89  
   51    52    88  
   52    88  
   88  
   54    55    58    59    64    65    76    84    88    67    56    57    60  
   55    58    59    64    84    56  
   58    59    64    84    56  
   57    60    61    62    63    58    88  
   60    61    62    63  
   59    64    65    66    71    76    77    84    74    85    88    89    67    68    69    70  
   64    65    76    84    88    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    71    72    73    76    84    74    75    78    85    86    88    89    90    80    67    68    69    70  
   66    71    72    73    76    77    84    74    75    78    79    85    88    89    87    80    81    82    83    67    68    69    70  
   71    72    73    76    74    75    78    88    80    67  
   68    69    70    71    74    84    85    88    89  
   69    70    88  
   70    88  
   88  
   72    73    76    77    84    74    75    78    88    80  
   73    76    77    84    74  
   76    77    84    74  
   75    78    79    85    86    88    90    87    91    80    81    82    83    76  
   78    79    85    87    80    81    82    83  
   77    84  
   84  
   79    85    86    88    89    90    95    87    91    92    93    94    80    81    82    83  
   85    86    88    90    87    91    80  
   81    82    83    85    87  
   82    83  
   83  
    0  
   88  
   86    88    89    90    95    96    97    87    91  
   88    89    90    95    87  
   91    92    93    94    88    90  
   89    90    95  
   90  
   95    96    97    98    99   100  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   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    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   317.000  1.510
   33    56   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    47   268.000  1.529
   42    88   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    84   320.000  1.410
   64    65   268.000  1.529
   64    88   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   317.000  1.522
   76    77   570.000  1.229
   76    84   214.000  1.327
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   268.000  1.529
   78    79   340.000  1.090
   78    85   268.000  1.529
   78    87   320.000  1.410
   85    86   340.000  1.090
   85    88   268.000  1.529
   85    90   320.000  1.410
   88    89   340.000  1.090
   90    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   87    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    43   320.000  1.410
   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    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  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  112.02700
   39    42    88    70.00000  112.02700
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    88    64    58.35000  112.70000
   42    88    85    58.35000  112.70000
   42    88    89    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    60    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    84    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    65    58.35000  112.70000
   58    64    88    58.35000  112.70000
   58    64    67    58.35000  112.70000
   58    84    76    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    88    85    58.35000  112.70000
   64    88    89    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    63.00000  111.10000
   65    74    75    37.50000  110.70000
   65    74    78    58.35000  112.70000
   65    74    80    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    80.00000  120.40000
   71    76    84    81.00000  111.40000
   73    71    72    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    35.00000  109.50000
   84    58    59    35.00000  109.50000
   84    58    64    50.00000  109.50000
   84    76    77    83.00000  123.40000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    78    79    37.50000  110.70000
   74    78    85    58.35000  112.70000
   74    78    87    50.00000  109.50000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   78    74    75    37.50000  110.70000
   78    85    86    37.50000  110.70000
   78    85    88    58.35000  112.70000
   78    85    90    50.00000  109.50000
   78    87    91    60.00000  109.50000
   85    78    79    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    90    95    83.00000  116.90000
   88    42    47    58.35000  112.70000
   88    64    65    58.35000  112.70000
   88    85    86    37.50000  110.70000
   90    85    86    35.00000  109.50000
   90    85    88    50.00000  109.50000
   90    95    96    83.00000  123.40000
   90    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   87    78    79    35.00000  109.50000
   87    78    85    50.00000  109.50000
   87    91    92    35.00000  109.50000
   87    91    93    35.00000  109.50000
   87    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    88    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    42    47    58.35000  112.70000
   49    42    88    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
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   49    42    88    64   0.20000  1.0 3.0
   49    42    88    85   0.56750  1.0 1.0
   49    42    88    85  -0.07550 -1.0 2.0
   49    42    88    85   0.20000  1.0 3.0
   49    42    88    89   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
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
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   71    84    76    77  10.50000 -1.0 2.0
   90    97    95    96  10.50000 -1.0 2.0
END
