* LIGAND DATABASE FILE (OPLS2005)
*
001     104   106    201    308     600
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094   102.42788   -42.19296
    3     1 S   H    _H1_     3     1.02077    73.41047    63.89625
    4     1 S   H    _H2_     4     1.02121    40.54526  -146.42929
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C11    36     1.83652    97.71022   161.84066
   34    33 S   HC   _H9_    37     1.09602   105.82772    40.58370
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C12    38     1.53795   114.56783   160.03680
   39    38 S   HC   _H10    39     1.10332   107.91503  -166.23332
   40    38 S   CT   _C13    40     1.53222   113.67539    74.01629
   41    40 S   HC   _H11    41     1.09531   110.13202   171.40180
   42    38 S   NP   _N5_   101     1.48478   111.25568   -51.74950
   43    42 S   H    _H26   102     1.02501   110.87472    62.90664
   44    42 S   H    _H27   103     1.02474   110.83292   -57.12502
   45    42 S   H    _H28   104     1.02574   110.81259  -177.10119
   46    40 S   CT   _C14    42     1.53662   109.09792    50.93244
   47    46 S   HC   _H12    43     1.09464   109.47749    65.12950
   48    40 S   OH   _O36    99     1.42540   111.61044   -69.44684
   49    48 S   HO   _H25   100     0.96965   106.60090   -60.01613
   50    46 S   OS   _O34    44     1.43260   110.82881   -54.89482
   51    46 S   CT   _C15    94     1.52533   112.43698  -174.94131
   52    51 S   HC   _H22    95     1.09053   109.95897    80.06077
   53    51 S   HC   _H23    96     1.08988   110.03377   -40.92380
   54    33 S   CO   _C10    45     1.53880   108.93639   -76.61820
   55    54 S   HC   _H8_    46     1.09511   110.42544    44.48812
   56    51 S   OH   _O35    97     1.41629   108.56580  -160.47087
   57    56 S   HO   _H24    98     0.97206   107.09142  -179.95577
   58    54 S   OS   _O33    47     1.42918   108.82670   160.55990
   59    58 S   CT   _C8_    48     1.42859   111.27896  -148.84949
   60    59 S   HC   _H6_    49     1.11302   105.94039   -29.94375
   61    59 S   CT   _C9_    50     1.53711   108.85815  -148.92382
   62    61 S   HC   _H7_    51     1.10541   109.90254    51.51076
   63    61 S   CT   _C4_    52     1.53203   112.74365   -72.07242
   64    63 S   HC   _H17    53     1.09839   109.31159  -170.17137
   65    63 S   HC   _H18    54     1.09733   109.77380    73.84390
   66    61 S   NP   _N4_    90     1.48990   109.55378   166.19555
   67    66 S   H    _H19    91     1.02304   110.47551   170.52249
   68    66 S   H    _H20    92     1.02248   110.48350    50.51886
   69    66 S   H    _H21    93     1.02302   110.48539   -69.49087
   70    63 S   CT   _C5_    55     1.53012   112.84982   -49.46691
   71    70 S   HC   _H3_    56     1.07981   110.06077   -70.75364
   72    70 S   CT   _C6_    57     1.53065   111.63480    53.63403
   73    72 S   HC   _H4_    58     1.09942   110.87941    65.99838
   74    70 S   NP   _N8_    86     1.49270   108.16514   173.22211
   75    74 S   H    _H39    87     1.02305   110.74601  -157.52551
   76    74 S   H    _H40    88     1.02423   110.65308    82.46776
   77    74 S   H    _H41    89     1.02358   110.69662   -37.47748
   78    59 S   CT   _C7_    59     1.53483   107.99978    87.44069
   79    78 S   HC   _H5_    60     1.09818   109.33482   -52.26754
   80    72 S   OS   _O38    63     1.42708   109.26867  -176.73535
   81    78 S   OH   _O37    61     1.42716   108.77754  -168.28328
   82    81 S   HO   _H29    62     0.96908   106.41832    57.17183
   83    80 S   CO   _C16    64     1.42484   111.11767  -149.89685
   84    83 S   HC   _H13    65     1.09722   106.99311   -29.98342
   85    83 S   CT   _C17    66     1.53004   109.40264    88.54272
   86    85 S   HC   _H14    67     1.09436   111.03959   -59.28413
   87    85 S   CT   _C18    68     1.53042   111.32741   176.20295
   88    87 S   HC   _H30    69     1.09790   108.06676    73.19099
   89    87 S   HC   _H31    70     1.09692   110.09123  -170.04246
   90    85 S   NP   _N7_    82     1.49443   108.91054    55.91167
   91    90 S   H    _H36    83     1.02217   110.41073   -51.91936
   92    90 S   H    _H37    84     1.02255   110.38499  -171.89223
   93    90 S   H    _H38    85     1.02235   110.42340    68.10613
   94    87 S   CT   _C19    71     1.53324   112.62897   -46.49300
   95    94 S   HC   _H15    72     1.09597   109.49165   168.69997
   96    94 S   CO   _C20    73     1.53425   110.68830    46.57913
   97    96 S   HC   _H16    74     1.09230   110.08811    66.53201
   98    94 S   OH   _O40    80     1.42711   109.44258   -73.72993
   99    98 S   HO   _H35    81     0.96977   106.42061   -60.01154
  100    83 S   OS   _O39    75     1.42853   111.13497  -148.96836
  101    96 S   NP   _N6_    76     1.49119   108.31427  -179.51021
  102   101 S   H    _H32    77     1.02371   110.60672   153.47472
  103   101 S   H    _H33    78     1.02377   110.59781    33.52092
  104   101 S   H    _H34    79     1.02307   110.64404   -86.53763
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   9  15   7   6   2   1   1  12   7   3
   1   8   5   3   2   6   2   1   1  10  18   8  15   9  16   6
   5   5   2   1   1  12   8  14   6   5   2   1   1   5   3   9
   1   1  15   6  13   9  14   6   5   5   2   1   1  10   6   8
   6   3   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    54    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    50    54    55    58    59    48    42    43    44    45  
   38    39    40    50    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    46    47    50    54    55    58    51    48    49    42    43    44    45  
   40    41    46    54    48    42    43    44    45  
   41    46    47    50    54    51    52    53    56    48    49    42    43    44    45  
   46    47    50    51    48    49    42  
   43    44    45    46    48    54  
   44    45  
   45  
    0  
   47    50    54    55    58    51    52    53    56    57    48    49  
   50    54    51    52    53    56    48  
   49    50    51  
    0  
   54    55    58    59    51    52    53    56  
   52    53    56    57    54  
   53    56    57  
   56    57  
   55    58    59    60    61    78  
   58    59  
   57  
    0  
   59    60    61    62    63    72    78    79    81    66  
   60    61    62    63    64    65    70    72    73    78    79    81    82    80    66    67    68    69  
   61    62    63    72    78    79    81    66  
   62    63    64    65    70    71    72    78    79    81    74    66    67    68    69  
   63    64    65    70    78    66    67    68    69  
   64    65    70    71    72    73    78    80    74    75    76    77    66    67    68    69  
   65    70    71    72    74    66  
   70    71    72    74    66  
   67    68    69    70    78  
   68    69  
   69  
    0  
   71    72    73    78    79    81    80    83    74    75    76    77  
   72    73    78    80    74    75    76    77  
   73    78    79    81    82    80    83    84    85   100    74    75    76    77  
   78    79    81    80    83    74  
   75    76    77    78    80  
   76    77  
   77  
    0  
   79    81    82    80    83  
   81    82    80  
   83    84    85    86    87    96   100    90    81  
   82  
    0  
   84    85    86    87    88    89    94    96    97   100   101    90    91    92    93  
   85    86    87    96   100    90  
   86    87    88    89    94    95    96   100    98    90    91    92    93  
   87    88    89    94   100    90    91    92    93  
   88    89    94    95    96    97   100   101    98    99    90    91    92    93  
   89    94    95    96    98    90  
   94    95    96    98    90  
   91    92    93    94   100  
   92    93  
   93  
    0  
   95    96    97   100   101   102   103   104    98    99  
   96    97   100   101    98    99  
   97   100   101   102   103   104    98    99  
  100   101   102   103   104    98  
   99   100   101  
    0  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    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   1.6450   1.4500   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   43   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   74   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   75   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   91   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.2500   0.1700  -0.112500   2.2900   2.0360   0.003973653   1.685851020
  102   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  103   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  104   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   367.000  1.471
   40    41   340.000  1.090
   40    46   268.000  1.529
   40    48   320.000  1.410
   46    47   340.000  1.090
   46    50   320.000  1.410
   46    51   268.000  1.529
   50    54   320.000  1.380
   54    55   340.000  1.090
   54    58   320.000  1.380
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    78   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   367.000  1.471
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    81   320.000  1.410
   81    82   553.000  0.945
   80    83   320.000  1.380
   83    84   340.000  1.090
   83    85   250.000  1.527
   83   100   320.000  1.380
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   250.000  1.527
   94    98   320.000  1.410
   96    97   340.000  1.090
   96   100   320.000  1.380
   96   101   215.000  1.578
  101   102   434.000  1.010
  101   103   434.000  1.010
  101   104   434.000  1.010
   98    99   553.000  0.945
   90    91   434.000  1.010
   90    92   434.000  1.010
   90    93   434.000  1.010
   74    75   434.000  1.010
   74    76   434.000  1.010
   74    77   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   66    69   434.000  1.010
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   48    49   553.000  0.945
   42    43   434.000  1.010
   42    44   434.000  1.010
   42    45   434.000  1.010
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    80.00000  111.20000
   33    54    50    90.00000  108.56700
   33    54    55    45.00000  112.01100
   33    54    58    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    46    58.35000  112.70000
   38    40    48    50.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   40    38    39    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    50    50.00000  109.50000
   40    46    51    58.35000  112.70000
   40    48    49    55.00000  108.50000
   46    40    41    37.50000  110.70000
   46    50    54    60.00000  109.50000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    54    55    35.00000  109.50000
   50    54    58    92.60000  111.55000
   54    33    34    45.00000  108.72000
   54    33    38    75.00000  109.43000
   54    58    59    60.00000  109.50000
   58    54    55    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    78    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    66    80.00000  111.20000
   59    78    72    58.35000  112.70000
   59    78    79    37.50000  110.70000
   59    78    81    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    70    58.35000  112.70000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   63    61    62    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    58.35000  112.70000
   63    70    74    80.00000  111.20000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    78    58.35000  112.70000
   70    72    80    50.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   72    70    71    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    81    50.00000  109.50000
   72    80    83    60.00000  109.50000
   78    59    60    37.50000  110.70000
   78    59    61    58.35000  112.70000
   78    72    73    37.50000  110.70000
   78    81    82    55.00000  108.50000
   81    78    79    35.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   80    83    84    35.00000  109.50000
   80    83    85    90.00000  108.56700
   80    83   100    92.60000  111.55000
   83    85    86    45.00000  108.72000
   83    85    87    75.00000  109.43000
   83    85    90    80.00000  111.20000
   83   100    96   100.00000  109.58800
   85    83    84    45.00000  112.01100
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    94    58.35000  112.70000
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   87    85    86    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    75.00000  109.43000
   87    94    98    50.00000  109.50000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    96    97    45.00000  112.01100
   94    96   100    90.00000  108.56700
   94    96   101    85.00000   97.94000
   94    98    99    55.00000  108.50000
   96    94    95    45.00000  108.72000
   96   101   102    50.00000  110.51400
   96   101   103    50.00000  110.51400
   96   101   104    50.00000  110.51400
  100    83    84    35.00000  109.50000
  100    83    85    90.00000  108.56700
  100    96    97    35.00000  109.50000
  101    96    97    35.00000  109.50000
  101    96   100   105.00000  105.24000
  103   101   102    35.00000  109.50000
  104   101   102    35.00000  109.50000
  104   101   103    35.00000  109.50000
   98    94    95    35.00000  109.50000
   98    94    96    90.00000  111.58700
   90    85    86    35.00000  109.50000
   90    85    87    80.00000  111.20000
   92    90    91    35.00000  109.50000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    80.00000  111.20000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   66    61    62    35.00000  109.50000
   66    61    63    80.00000  111.20000
   68    66    67    35.00000  109.50000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   51    46    47    37.50000  110.70000
   51    46    50    50.00000  109.50000
   51    56    57    55.00000  108.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   48    40    41    35.00000  109.50000
   48    40    46    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  111.20000
   44    42    43    35.00000  109.50000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  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
   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
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   48    40    46    51   0.20800  1.0 3.0
   42    38    40    41   0.19200  1.0 3.0
   42    38    40    46   1.36600  1.0 1.0
   42    38    40    46  -0.11450 -1.0 2.0
   42    38    40    46   0.24250  1.0 3.0
   42    38    40    48   1.69300  1.0 1.0
   42    38    40    48  -0.48450 -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
END
