* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    223    362     677
    1     0 S   NP   _N1_     1    28.86860    96.70900   -19.99679
    2     1 S   H    _HN1     2     1.02774    86.80378  -105.50038
    3     1 S   H    _H1_     3     1.02951    74.35690     4.53108
    4     1 S   H    _H2_     4     1.02829    47.60632   136.60456
    5     1 S   CT   _CA1     5     1.50173   156.39721   109.71893
    6     5 S   HC   _HA1     6     1.09576   105.18628    80.34759
    7     5 S   CO3  _C1_     7     1.53804   112.08019   -39.75626
    8     7 S   O2Z  _O11     8     1.26377   114.99470   -48.29438
    9     7 S   O2Z  _O12     9     1.26213   114.91959   130.32285
   10     5 S   CT   _CB1    10     1.53056   107.33463  -161.85788
   11    10 S   HC   HB11    11     1.09835   109.38377   -49.81573
   12    10 S   HC   HB12    12     1.09811   110.45694    66.74775
   13    10 S   CT   _CG1    13     1.53003   112.65482  -170.79011
   14    13 S   HC   HG11    14     1.09596   110.52678   -64.23091
   15    13 S   HC   HG12    15     1.09652   109.91939    55.01075
   16    13 S   C    _CD1    16     1.51848   112.07729   175.44461
   17    16 S   O    _OE1    17     1.22756   123.25939     4.01483
   18    16 S   N    _N2_    18     1.38450   111.82349  -175.92561
   19    18 S   H    _HN2    19     1.01843   119.05957    -0.82614
   20    18 S   CT1  _CA2    20     1.46168   123.87090  -177.55704
   21    20 S   HC   _HA2    21     1.09743   108.99370    11.88072
   22    20 S   C    _C2_    22     1.53652   109.88047  -104.31312
   23    22 S   O    _O2_    23     1.23131   121.85728  -148.14629
   24    20 S   CT   _CB2    32     1.53687   111.17408   133.25167
   25    24 S   HC   HB21    33     1.09004   109.63790    64.95122
   26    24 S   HC   HB22    34     1.09569   109.78466  -178.34200
   27    22 S   N    _N3_    24     1.38392   114.11360    39.45436
   28    27 S   H    _HN3    25     1.01428   119.09232    -0.51129
   29    24 S   S    _SG2    35     1.82919   111.26732   -60.35419
   30    27 S   CT   _CA3    26     1.45462   123.52565   175.80834
   31    30 S   HC   HA31    27     1.09520   109.44162    21.63212
   32    30 S   HC   HA32    28     1.09513   107.08127   138.55470
   33    29 S   CT   _C23    36     1.92764   104.56730   130.97731
   34    30 S   CO3  _C3_    29     1.52879   112.91478  -102.02895
   35    34 S   O2Z  _O31    30     1.26424   115.27875   -50.60297
   36    34 S   O2Z  _O32    31     1.26345   115.10446   130.36012
   37    33 S   CT   _C28    37     1.55749   110.47783    44.89345
   38    37 S   HC   _H41    38     1.09435   112.98512   -69.05084
   39    37 S   HC   _H42    39     1.09713   108.96391   176.04562
   40    33 S   CT   _C22    99     1.59417   105.61531   -79.44363
   41    40 S   OM   _O33   100     1.32665   112.07537    73.72283
   42    40 S   HC   _H8_   101     1.10135   105.34106   -55.37746
   43    37 S   CT   _C27    40     1.53322   114.55276    55.28692
   44    43 S   HC   _H39    41     1.09647   110.23420   -94.81997
   45    43 S   HC   _H40    42     1.09745   108.17659   150.25145
   46    43 S   CT   _C26    43     1.52401   114.24399    28.20060
   47    46 S   HC   _H37    44     1.09717   108.91647   152.51083
   48    46 S   HC   _H38    45     1.09413   111.08471   -92.32311
   49    46 S   CT   _C25    46     1.51910   111.94605    31.21341
   50    49 S   HC   _H35    47     1.09799   105.36031    66.91255
   51    49 S   HC   _H36    48     1.09737   108.87968   179.46113
   52    33 S   CT   _C24    49     1.63515   109.44053   161.60250
   53    52 S   CT   _C19    50     1.59845   111.38716   161.31262
   54    53 S   HC   _H6_    51     1.10056   106.26652    65.59412
   55    52 S   CT   _C29   106     1.55620   111.57840    39.45848
   56    55 S   HC   _H43   107     1.09358   112.04484    56.24010
   57    55 S   HC   _H44   108     1.09423   112.15784   -65.82467
   58    55 S   HC   _H45   109     1.09309   112.35198   177.27940
   59    53 S   CT   _C18    52     1.55898   114.45730  -179.37099
   60    59 S   HC   _H31    53     1.09279   110.77164    59.05101
   61    59 S   HC   _H32    54     1.09516   110.38639   -58.10333
   62    59 S   CT   _C17    55     1.53864   113.87363  -179.22924
   63    62 S   HC   _H29    56     1.09756   108.79050    67.35106
   64    62 S   HC   _H30    57     1.09345   108.14977  -177.46611
   65    62 S   CT   _C16    58     1.53757   111.75224   -54.59122
   66    65 S   CT   _C15    59     1.54805   106.23123    57.08121
   67    66 S   HC   _H5_    60     1.10356   107.97758    56.09926
   68    65 S   CT   _C30   102     1.54778   110.30285   -66.54048
   69    68 S   HC   _H46   103     1.09456   112.41691  -176.40038
   70    68 S   HC   _H47   104     1.09301   112.83921    62.94271
   71    68 S   HC   _H48   105     1.09509   110.82915   -56.56582
   72    66 S   CT   _C14    61     1.52253   103.79729   168.02444
   73    72 S   HC   _H27    62     1.09479   112.14277  -155.00147
   74    72 S   HC   _H28    63     1.09577   111.52679    84.22896
   75    53 S   CT   _C20    94     1.54680   113.62060   -50.32454
   76    75 S   HC   _H7_    95     1.09544   110.03312   -61.68222
   77    72 S   CT   _C13    64     1.53440   104.07447   -34.92130
   78    77 S   HC   _H25    65     1.09598   109.25505   129.82480
   79    77 S   HC   _H26    66     1.09575   110.71157  -112.03738
   80    75 S   CT   _C21    96     1.52882   109.57634    57.24797
   81    80 S   HC   _H33    97     1.10056   109.52513    63.04053
   82    80 S   HC   _H34    98     1.10021   108.53968   178.45010
   83    65 S   CT   _C12    67     1.56085   115.81390   166.41736
   84    83 S   HC   _H4_    68     1.09947   107.05566   -41.42600
   85    83 S   CT   _C5_    69     1.55301   119.26628    80.96393
   86    85 S   HC   _H3_    70     1.09796   108.37352    58.22089
   87    85 S   CT   _C4_    71     1.53165   112.76960   -59.95724
   88    87 S   HC   _H9_    72     1.09457   111.71094   -47.79973
   89    87 S   HC   _H10    73     1.09271   111.06557    73.32680
   90    87 S   HC   _H11    74     1.09557   111.11038  -168.52589
   91    85 S   CT   _C6_    75     1.55171   113.01006   174.77183
   92    91 S   HC   _H12    76     1.09829   108.32775  -176.12829
   93    91 S   HC   _H13    77     1.09660   109.52850   -61.61998
   94    91 S   CT   _C7_    78     1.53385   115.24917    61.76737
   95    94 S   HC   _H14    79     1.09534   110.11010    57.58967
   96    94 S   HC   _H15    80     1.09370   109.56539   -60.55216
   97    94 S   CT   _C8_    81     1.53336   110.95963   178.55423
   98    97 S   HC   _H16    82     1.09756   109.35166    61.90600
   99    97 S   HC   _H17    83     1.09770   108.66560   -54.12162
  100    97 S   CT   _C9_    84     1.54008   113.47923  -175.19376
  101   100 S   HC   _H18    85     1.09738   108.70661    56.31403
  102   100 S   CT   _C10    86     1.52941   112.49316   -63.53459
  103   102 S   HC   _H19    87     1.09522   111.25785   -55.83117
  104   102 S   HC   _H20    88     1.09546   110.75236  -175.89683
  105   102 S   HC   _H21    89     1.09409   111.38660    64.99189
  106   100 S   CT   _C11    90     1.53076   109.79013   174.01535
  107   106 S   HC   _H22    91     1.09539   111.28472    61.95859
  108   106 S   HC   _H23    92     1.09521   110.83610  -177.78769
  109   106 S   HC   _H24    93     1.09516   110.83618   -58.31924
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  25   2   1   1  16   7   6  13   6   5   9   5   4   8   5   4
  11   4   3  14  20   9   5   2   1   1  12   6   5  15   5   4
  21  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2
   1   1  11   4  12   8   7   3   2   1   9   5   4   9   5   4
  12   5   4   9   8   7   3   2   1   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    52    53    80    40    41    42    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    46    49    50    51    52    53    54    59    75    80    81    82    40    41    42    55    56    57    58  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    49    52    53    80    40    41    42    55  
   39    43    44    45    46    52    40  
   43    44    45    46    52    40  
   41    42    55    43    49    52    53    66    75    76    80    81    82  
   42    52    75    80    81    82  
   52    75    80    81    82  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    59    75    55    56    57    58  
   51    52    53    55  
   52    53    55  
   53    54    59    60    61    62    66    75    76    80    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    72    75    76    80    81    82    55    56    57    58  
   59    60    61    62    66    75    76    80    55  
   56    57    58    59    75  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    83    75    76    80    68  
   61    62    63    64    65    75  
   62    63    64    65    75  
   63    64    65    66    67    72    77    83    84    85    75    68    69    70    71  
   64    65    66    83    68  
   65    66    83    68  
   66    67    72    73    74    77    78    79    83    84    85    86    87    91    75    76    80    68    69    70    71  
   67    72    73    74    77    78    79    83    84    85    75    76    80    81    82    68    69    70    71  
   72    73    74    77    83    75    76    80    68  
   69    70    71    72    75    77    83    84    85  
   70    71    83  
   71    83  
   83  
   73    74    77    78    79    83    84    85    75    76    80  
   74    77    78    79    83    75  
   77    78    79    83    75  
   76    80    81    82    77    83  
   80    81    82  
   78    79    83    84    85    86    87    91  
   79    83    84    85  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91    92    93    94  
   85    86    87    91  
   86    87    88    89    90    91    92    93    94    95    96    97  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   106  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106   107   108   109  
   99   100   101   102   106  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   268.000  1.529
   52    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    75   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   268.000  1.529
   65    83   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    91   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   75    76   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    52    49    58.35000  112.70000
   33    52    53    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    58.35000  112.70000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    58.35000  112.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    59    58.35000  112.70000
   52    53    75    58.35000  112.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    75    66    58.35000  112.70000
   53    75    76    37.50000  110.70000
   53    75    80    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    58.35000  112.70000
   62    65    83    58.35000  112.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    75    58.35000  112.70000
   65    83    77    58.35000  112.70000
   65    83    84    37.50000  110.70000
   65    83    85    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    77    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    83    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    65    66    58.35000  112.70000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    58.35000  112.70000
   83    85    91    58.35000  112.70000
   85    83    84    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    58.35000  112.70000
   87    85    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    85    86    37.50000  110.70000
   91    85    87    58.35000  112.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    58.35000  112.70000
   97   100   106    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   75    53    54    37.50000  110.70000
   75    53    59    58.35000  112.70000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    40    58.35000  112.70000
   80    75    76    37.50000  110.70000
   80    40    41    50.00000  109.50000
   80    40    42    37.50000  110.70000
   82    80    81    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    80    82    37.50000  110.70000
   42    40    41    45.00000  125.66300
   68    65    66    58.35000  112.70000
   68    65    83    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    52    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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
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   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    91   0.15000  1.0 3.0
   85    91    94    95   0.15000  1.0 3.0
   85    91    94    96   0.15000  1.0 3.0
   85    91    94    97   0.56750  1.0 1.0
   85    91    94    97  -0.07550 -1.0 2.0
   85    91    94    97   0.20000  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    90   0.15000  1.0 3.0
   86    85    91    92   0.15000  1.0 3.0
   86    85    91    93   0.15000  1.0 3.0
   86    85    91    94   0.15000  1.0 3.0
   87    85    91    92   0.15000  1.0 3.0
   87    85    91    93   0.15000  1.0 3.0
   87    85    91    94   0.56750  1.0 1.0
   87    85    91    94  -0.07550 -1.0 2.0
   87    85    91    94   0.20000  1.0 3.0
   91    85    87    88   0.15000  1.0 3.0
   91    85    87    89   0.15000  1.0 3.0
   91    85    87    90   0.15000  1.0 3.0
   91    94    97    98   0.15000  1.0 3.0
   91    94    97    99   0.15000  1.0 3.0
   91    94    97   100   0.56750  1.0 1.0
   91    94    97   100  -0.07550 -1.0 2.0
   91    94    97   100   0.20000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    96   0.15000  1.0 3.0
   93    91    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.56750  1.0 1.0
   94    97   100   102  -0.07550 -1.0 2.0
   94    97   100   102   0.20000  1.0 3.0
   94    97   100   106   0.56750  1.0 1.0
   94    97   100   106  -0.07550 -1.0 2.0
   94    97   100   106   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   97   100   106   107   0.15000  1.0 3.0
   97   100   106   108   0.15000  1.0 3.0
   97   100   106   109   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   106   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   75    53    59    60   0.15000  1.0 3.0
   75    53    59    61   0.15000  1.0 3.0
   75    53   -59    62   0.56750  1.0 1.0
   75    53   -59    62  -0.07550 -1.0 2.0
   75    53   -59    62   0.20000  1.0 3.0
   75    66    72    73   0.15000  1.0 3.0
   75    66    72    74   0.15000  1.0 3.0
   75    66    72    77   0.56750  1.0 1.0
   75    66    72    77  -0.07550 -1.0 2.0
   75    66    72    77   0.20000  1.0 3.0
   75    80   -40    33   0.56750  1.0 1.0
   75    80   -40    33  -0.07550 -1.0 2.0
   75    80   -40    33   0.20000  1.0 3.0
   75    80    40    41   0.62750  1.0 1.0
   75    80    40    41  -0.30950 -1.0 2.0
   75    80    40    41   0.27300  1.0 3.0
   75    80    40    42   0.15000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    40   0.15000  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.23400  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   82    80    40    33   0.15000  1.0 3.0
   82    80    40    41   0.23400  1.0 3.0
   82    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.56750  1.0 1.0
   40    33    37    43  -0.07550 -1.0 2.0
   40    33    37    43   0.20000  1.0 3.0
   40    33    52    49   0.56750  1.0 1.0
   40    33    52    49  -0.07550 -1.0 2.0
   40    33    52    49   0.20000  1.0 3.0
   40    33   -52    53   0.56750  1.0 1.0
   40    33   -52    53  -0.07550 -1.0 2.0
   40    33   -52    53   0.20000  1.0 3.0
   40    33    52    55   0.56750  1.0 1.0
   40    33    52    55  -0.07550 -1.0 2.0
   40    33    52    55   0.20000  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    75   0.56750  1.0 1.0
   68    65    66    75  -0.07550 -1.0 2.0
   68    65    66    75   0.20000  1.0 3.0
   68    65    83    77   0.56750  1.0 1.0
   68    65    83    77  -0.07550 -1.0 2.0
   68    65    83    77   0.20000  1.0 3.0
   68    65    83    84   0.15000  1.0 3.0
   68    65    83    85   0.56750  1.0 1.0
   68    65    83    85  -0.07550 -1.0 2.0
   68    65    83    85   0.20000  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    75   0.56750  1.0 1.0
   55    52    53    75  -0.07550 -1.0 2.0
   55    52    53    75   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
END
