* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    206    325     611
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037    95.64539   -59.08202
    3     1 S   H    _H1_     3     1.02045    84.29103    49.23520
    4     1 S   H    _H2_     4     1.02128    34.09143  -174.48211
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C25    36     1.86113    96.45545   161.84221
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.53893   109.58354   -79.95791
   38    33 S   CT   _C24    91     1.57340   113.37167   158.83574
   39    33 S   OH   _O36   110     1.42951   105.18611    40.73568
   40    39 S   HO   _H22   111     0.96808   106.18431  -179.02723
   41    37 S   CM   _C14    38     1.35231   125.09177   118.99459
   42    38 S   OH   _O37    92     1.42945   109.25430   -53.29487
   43    42 S   HO   _H23    93     0.96749   106.14492   -60.28881
   44    41 S   CA   _C12    39     1.48339   121.44217   165.94539
   45    41 S   OH   _O40   108     1.38059   121.51644    -9.31532
   46    45 S   HO   _H32   109     0.96229   109.86858   175.51834
   47    44 S   CA   _C11    40     1.40513   119.70485    13.17661
   48    47 S   CA   _C10    41     1.40524   120.33352  -179.07507
   49    47 S   CT   _C17    74     1.50022   120.52913     4.60479
   50    49 S   HC   _H18    75     1.10076   110.80726    95.99839
   51    49 S   HC   _H19    76     1.10250   106.60379  -148.47446
   52    48 S   CA   _C9_    42     1.39149   120.62961     1.62510
   53    52 S   HA   _H16    43     1.08693   120.20937   179.30959
   54    48 S   NE   _N8_    65     1.41496   121.23109  -179.18411
   55    37 S   CT   _C16    77     1.52595   113.55878   -67.33161
   56    55 S   HC   _H3_    78     1.11674   104.04273    52.93373
   57    52 S   CA   _C8_    44     1.38898   119.56060    -0.28804
   58    54 S   CT   _C29    66     1.44721   120.34049   -89.26787
   59    58 S   HC   _H33    67     1.09308   110.10681  -180.00000
   60    58 S   HC   _H34    68     1.09355   110.18328    60.02981
   61    58 S   HC   _H35    69     1.09290   110.26455   -59.94493
   62    54 S   CT   _C30    70     1.44760   120.24103    90.12403
   63    62 S   HC   _H36    71     1.09300   110.13354  -179.98022
   64    62 S   HC   _H37    72     1.09351   110.19733    59.92714
   65    62 S   HC   _H38    73     1.09352   110.19138   -59.96147
   66    55 S   CT   _C18    79     1.53444   109.05171   -60.47106
   67    66 S   HC   _H20    80     1.08510   109.24735   177.81340
   68    66 S   HC   _H21    81     1.08244   110.15712   -64.16380
   69    44 S   CA   _C13    45     1.40633   122.16858  -163.53207
   70    57 S   N    _N5_    48     1.39793   118.99400   179.66604
   71    70 S   H    _H15    49     1.02564   116.22034  -149.96381
   72    66 S   CT   _C19    82     1.55346   111.11542    57.86488
   73    72 S   HC   _H4_    83     1.11032   106.23677    63.36798
   74    69 S   OH   _O34    46     1.37002   121.99254    -2.76393
   75    74 S   HO   _H17    47     0.96842   109.84761   179.96574
   76    70 S   C    _C7_    50     1.40300   128.08195    30.04699
   77    76 S   O    _O33    51     1.22596   126.97762     0.20842
   78    72 S   CT   _C20    84     1.54951   110.84108   178.28605
   79    78 S   HC   _H5_    85     1.10791   105.77335   -44.86567
   80    76 S   CT1  _C6_    52     1.51217   110.96286   180.00000
   81    80 S   HC   _H13    53     1.09420   110.53354   120.00646
   82    80 S   HC   _H14    54     1.09335   110.36924    -2.35692
   83    78 S   CMA  _C21    86     1.53669   113.59018    74.97862
   84    83 S   OM   _O39    87     1.26689   110.02613  -156.25674
   85    78 S   NT   _N7_    99     1.47492   110.08103  -159.31091
   86    80 S   NP   _N4_    55     1.48238   111.52892  -121.23339
   87    86 S   H    _H9_    56     1.03399   107.91268   -60.91784
   88    83 S   CM   _C22    88     1.35510   119.37320    22.27103
   89    85 S   CT   _C27   100     1.45742   109.95088  -166.95458
   90    89 S   HC   _H26   101     1.09280   110.17575  -179.97202
   91    89 S   HC   _H27   102     1.09344   110.15819    59.97370
   92    89 S   HC   _H28   103     1.09300   110.19215   -59.90085
   93    85 S   CT   _C28   104     1.45796   109.88052    70.59181
   94    93 S   HC   _H29   105     1.09272   110.09905   179.98022
   95    93 S   HC   _H30   106     1.09329   110.22028    59.98550
   96    93 S   HC   _H31   107     1.09298   110.17110   -60.02282
   97    86 S   CT   _C4_    57     1.50964   112.62909    55.77628
   98    97 S   HC   _H6_    58     1.09054   107.85920    62.20219
   99    97 S   HC   _H7_    59     1.09241   107.81532  -177.75825
  100    97 S   HC   _H8_    60     1.09217   107.80610   -57.83530
  101    86 S   CT   _C5_    61     1.51003   112.61675  -177.61764
  102   101 S   HC   _H10    62     1.09130   107.83339   -62.22274
  103   101 S   HC   _H11    63     1.09166   107.80822    57.84233
  104   101 S   HC   _H12    64     1.09188   107.77928   177.78901
  105    88 S   CO4  _C23    89     1.50219   123.04757     1.39395
  106   105 S   O    _O35    90     1.23305   118.11667  -179.37193
  107    88 S   C    _C26    94     1.48061   118.06955  -178.66367
  108   107 S   O    _O38    95     1.22094   121.13610   -59.98073
  109   107 S   N    _N6_    96     1.36921   112.89696   119.96091
  110   109 S   H    _H24    97     1.01517   118.34028     0.08393
  111   109 S   H    _H25    98     1.01453   123.25131  -179.98022
  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
  19   2   1   1  20  19   6   1  12   8   2  15   4   1  15  18
  11   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1
   1   9   4   3   5   8   3  11   5   1   1   8   4  15   6  12
   5   4  10   4   9   9   8   7   7   3   2   1   3   2   1   1
   7   3   2   1   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    55    72   105    38    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    49    55    56    66    72    73    78    88   105   106    38    42    43    45    39    40  
   35    36  
   36  
    0  
   41    44    47    69    49    50    51    55    56    66    67    68    72   105    38    42    45    46    39    40  
   42    43   107    85    39    40    41    55    66    67    68    72    73    78    79    83    88   105   106  
   40    41    42    55    72   105  
    0  
   44    47    48    57    69    74    49    55    56    66    45    46  
   43    66    72    73    78    88   105   106  
   72   105  
   47    48    52    57    69    74    75    70    54    49    50    51    55    45    46  
   46    47    55    69  
    0  
   48    52    53    57    69    74    54    58    62    49    50    51    55    56    66  
   52    53    57    69    70    54    58    59    60    61    62    63    64    65    49    50    51    55  
   50    51    55    56    66    67    68    72    52    54    69  
   51    55    56    66  
   55    56    66  
   53    57    69    74    70    71    76    54    58    62  
   57    69    70    54  
   58    59    60    61    62    63    64    65    57  
   56    66    67    68    72    73    78  
   66    67    68    72  
   69    74    75    70    71    76    77    80  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    78    79    83   105    85  
   68    72    73    78  
   72    73    78  
   74    75    70    71    76  
   71    76    77    80    81    82    86    74  
   76    77    80  
   73    78    79    83    84    88   105   106    85    89    93  
   78    79    83   105    85  
   75  
    0  
   77    80    81    82    86    87    97   101  
   80    81    82    86  
   79    83    84    88   105   107    85    89    90    91    92    93    94    95    96  
   83    84    88    85    89    93  
   81    82    86    87    97    98    99   100   101   102   103   104  
   82    86    87    97   101  
   86    87    97   101  
   84    88   105   106   107   108   109    85    89    93  
   88   105   107    85  
   89    90    91    92    93    94    95    96    88  
   87    97    98    99   100   101   102   103   104  
   97    98    99   100   101   102   103   104  
  105   106   107   108   109   110   111  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108   109  
  107  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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   0.432500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   85   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   86   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   87   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  109   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  110   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  111   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   549.000  1.340
   37    55   317.000  1.510
   41    44   320.000  1.460
   41    45   510.000  1.338
   44    47   469.000  1.400
   44    69   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    54   481.000  1.340
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    69   469.000  1.400
   57    70   360.000  1.404
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   367.000  1.471
   86    87   434.000  1.010
   86    97   367.000  1.471
   86   101   367.000  1.471
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   54    58   382.000  1.448
   54    62   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    38   268.000  1.529
   78    79   340.000  1.090
   78    83   270.000  1.512
   78    85   382.000  1.448
   83    84   745.000  1.250
   83    88   465.000  1.376
   88   105   320.000  1.462
   88   107   410.000  1.444
  105   106   570.000  1.229
  105    38   317.000  1.522
   38    42   320.000  1.410
   42    43   553.000  0.945
  107   108   570.000  1.229
  107   109   490.000  1.335
  109   110   434.000  1.010
  109   111   434.000  1.010
   85    89   382.000  1.448
   85    93   382.000  1.448
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   45    46   553.000  0.945
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    55    65.00000  117.92700
   33    38    72    58.35000  112.70000
   33    38   105    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    44    60.00000  123.20500
   37    41    45    80.00000  121.38400
   37    55    49    70.00000  112.02700
   37    55    56    35.00000  109.50000
   37    55    66    70.00000  112.02700
   41    44    47    60.00000  120.93500
   41    44    69    60.00000  120.93500
   41    45    46    70.00000  107.45700
   44    47    48    63.00000  120.00000
   44    47    49    70.00000  120.00000
   44    69    57    63.00000  120.00000
   44    69    74    70.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    54    70.00000  120.10000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.17500
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    50.00000  120.00000
   48    54    62    50.00000  120.00000
   52    57    69    63.00000  120.00000
   52    57    70    70.00000  119.01900
   57    52    53    35.00000  120.00000
   57    69    74    70.00000  120.00000
   57    70    71    45.00000  118.23600
   57    70    76    65.00000  121.96500
   69    44    47    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    57    69    70.00000  119.01900
   70    76    77    80.00000  122.90000
   70    76    80    70.00000  116.60000
   76    70    71    35.00000  119.80000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    86    80.00000  111.20000
   80    76    77    80.00000  120.40000
   80    86    87    35.00000  109.50000
   80    86    97    75.00000  113.01200
   80    86   101    75.00000  113.01200
   82    80    81    33.00000  107.80000
   86    80    81    35.00000  109.50000
   86    80    82    35.00000  109.50000
   86    97    98    35.00000  109.50000
   86    97    99    35.00000  109.50000
   86    97   100    35.00000  109.50000
   86   101   102    35.00000  109.50000
   86   101   103    35.00000  109.50000
   86   101   104    35.00000  109.50000
   97    86    87    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    86    87    35.00000  109.50000
  101    86    97    75.00000  113.01200
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   54    48    52    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    58    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   49    47    48    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    37    41    70.00000  124.00000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    72    58.35000  112.70000
   66    55    56    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    38    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    83    70.00000  112.02700
   72    78    85    56.20000  109.47000
   72    38   105    63.00000  111.10000
   72    38    42    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    83    84    85.00000  112.85300
   78    83    88    65.00000  122.18000
   78    85    89    51.80000  107.20000
   78    85    93    51.80000  107.20000
   83    78    79    45.00000  110.52000
   83    88   105    60.00000  125.92000
   83    88   107    60.00000  120.04000
   88    83    84    65.00000  137.10300
   88   105   106    80.00000  123.72100
   88   105    38    65.00000  118.62400
   88   107   108    80.00000  125.30000
   88   107   109    80.00000  111.56200
  105    38    42    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    72    73    37.50000  110.70000
   38    72    78    58.35000  112.70000
   38   105   106    80.00000  120.40000
   38    42    43    55.00000  108.50000
  107    88   105    55.00000  123.68000
  107   109   110    35.00000  119.80000
  107   109   111    35.00000  119.80000
  109   107   108    80.00000  122.90000
  111   109   110    35.00000  120.00000
   85    78    79    35.00000  109.50000
   85    78    83    75.00000  110.70900
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   85    93    94    35.00000  109.50000
   85    93    95    35.00000  109.50000
   85    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    85    89    51.80000  107.20000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   45    41    44    85.00000  114.86500
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
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
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  108   107   109   110   2.45000 -1.0 2.0
  108   107   109   111   2.45000 -1.0 2.0
   85    78    83    84   0.09700  1.0 1.0
   85    78    83    84   0.15600 -1.0 2.0
   85    78    83    84  -0.50800  1.0 3.0
   85    78    83    88   0.90200  1.0 1.0
   85    78    83    88   0.57900 -1.0 2.0
   85    78    83    88  -0.62100  1.0 3.0
   89    85    93    94   0.28000  1.0 3.0
   89    85    93    95   0.28000  1.0 3.0
   89    85    93    96   0.28000  1.0 3.0
   93    85    89    90   0.28000  1.0 3.0
   93    85    89    91   0.28000  1.0 3.0
   93    85    89    92   0.28000  1.0 3.0
   45    41    44    47  -0.01750  1.0 1.0
   45    41    44    47  -0.32000 -1.0 2.0
   45    41    44    47   0.00600  1.0 3.0
   45    41    44    69  -0.01750  1.0 1.0
   45    41    44    69  -0.32000 -1.0 2.0
   45    41    44    69   0.00600  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    55   0.18000  1.0 1.0
   39    33    37    55   0.16450 -1.0 2.0
   39    33    37    55   0.04450  1.0 3.0
   39    33    38    72   0.86500  1.0 1.0
   39    33    38    72  -0.17500 -1.0 2.0
   39    33    38    72   0.20800  1.0 3.0
   39    33    38   105  -0.09450  1.0 1.0
   39    33    38   105  -1.12950 -1.0 2.0
   39    33    38   105   0.54000  1.0 3.0
   39    33    38    42   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    55    37    41   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   47    69    44    41   4.00000 -1.0 2.0
   48    49    47    44   4.00000 -1.0 2.0
   52    54    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   69    70    57    52   4.00000 -1.0 2.0
   57    74    69    44   4.00000 -1.0 2.0
   71    76    70    57   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   62    48    54    58   1.00000 -1.0 2.0
   78    84    83    88   1.10000 -1.0 2.0
  105   107    88    83   1.10000 -1.0 2.0
   88    38   105   106  10.50000 -1.0 2.0
   88   109   107   108  10.50000 -1.0 2.0
  111   107   109   110   1.00000 -1.0 2.0
END
