* LIGAND DATABASE FILE (OPLS2005)
*
001     110   115    226    365     675
    1     0 S   NP   _N1_     1    29.01953    98.41820   -19.81578
    2     1 S   H    _HN1     2     1.02827    55.40196   157.23615
    3     1 S   H    _H1_     3     1.02785    86.93105   -88.51131
    4     1 S   H    _H2_     4     1.02949    66.10096    23.14934
    5     1 S   CT   _CA1     5     1.50120   160.09028   107.16193
    6     5 S   HC   _HA1     6     1.09583   105.13631   101.59125
    7     5 S   CO3  _C1_     7     1.53744   112.48627   -18.42896
    8     7 S   O2Z  _O11     8     1.26355   114.95517   -42.31534
    9     7 S   O2Z  _O12     9     1.26240   114.89201   136.68914
   10     5 S   CT   _CB1    10     1.53089   107.39060  -140.62012
   11    10 S   HC   HB11    11     1.09829   109.13336   -51.08546
   12    10 S   HC   HB12    12     1.09809   110.54607    65.47741
   13    10 S   CT   _CG1    13     1.52973   112.64542  -172.16398
   14    13 S   HC   HG11    14     1.09520   110.42983   -69.79277
   15    13 S   HC   HG12    15     1.09676   109.80825    49.37496
   16    13 S   C    _CD1    16     1.51838   112.31393   169.79330
   17    16 S   O    _OE1    17     1.22726   123.27456     9.11193
   18    16 S   N    _N2_    18     1.38633   111.66662  -170.83571
   19    18 S   H    _HN2    19     1.01591   118.87844     0.23239
   20    18 S   CT1  _CA2    20     1.46308   123.49355   175.62359
   21    20 S   HC   _HA2    21     1.09736   109.45189    -0.68870
   22    20 S   C    _C2_    22     1.53515   108.30559  -116.01468
   23    22 S   O    _O2_    23     1.23039   122.35485  -147.61262
   24    20 S   CT   _CB2    32     1.53212   111.37969   121.64224
   25    24 S   HC   HB21    33     1.09473   109.80507    54.66854
   26    24 S   HC   HB22    34     1.09508   110.82024   173.16878
   27    22 S   N    _N3_    24     1.38353   113.57111    39.84959
   28    27 S   H    _HN3    25     1.01600   119.53663    -3.41827
   29    24 S   S    _SG2    35     1.82802   111.07895   -67.96516
   30    27 S   CT   _CA3    26     1.45279   123.25017   177.12594
   31    30 S   HC   HA31    27     1.09548   107.52640   -64.32067
   32    30 S   HC   HA32    28     1.09556   107.97280    52.12421
   33    29 S   CT   _C25    36     1.83899   100.19155   149.86521
   34    33 S   HC   _H8_    37     1.09841   105.16133    37.57246
   35    30 S   CO3  _C3_    29     1.52966   114.05135   174.11304
   36    35 S   O2Z  _O31    30     1.26380   116.06006    -0.44146
   37    35 S   O2Z  _O32    31     1.26425   114.41776   179.61285
   38    33 S   CT   _C26    38     1.53781   111.08994   -77.50352
   39    38 S   HC   _H31    39     1.09863   108.65535   161.31747
   40    38 S   HC   _H32    40     1.09563   110.24597    46.57453
   41    38 S   CT   _C17    41     1.53716   113.68926   -77.60374
   42    41 S   HC   _H6_    42     1.09304   107.17089    64.25294
   43    41 S   CT   _C9_    43     1.53396   110.77787  -178.24654
   44    43 S   HC   _H4_    44     1.10303   106.59616    64.96700
   45    41 S   CT   _C18    59     1.56822   111.56169   -56.03927
   46    45 S   HC   _H7_    60     1.10078   107.05617   -58.34107
   47    43 S   CT   _C10    45     1.52357   118.14034   -54.06841
   48    47 S   HC   _H14    46     1.09487   112.00140    79.39661
   49    47 S   HC   _H15    47     1.09512   111.53755   -41.18795
   50    45 S   CT   _C19    61     1.59465   110.68874    56.94778
   51    47 S   CT   _C11    48     1.53333   104.33821  -160.35045
   52    51 S   HC   _H16    49     1.09444   109.00687   128.78892
   53    51 S   HC   _H17    50     1.09581   110.91330  -113.31709
   54    50 S   CT   _C20    62     1.56432   111.72274  -172.07501
   55    54 S   HC   _H25    63     1.09694   110.30286    50.80974
   56    54 S   HC   _H26    64     1.09376   110.53373   -66.72089
   57    50 S   CT   _C29    83     1.55275   109.64427    70.18878
   58    57 S   HC   _H38    84     1.09056   113.34447   -46.01181
   59    57 S   HC   _H39    85     1.09313   112.64749  -167.87502
   60    57 S   HC   _H40    86     1.09628   110.93888    73.21105
   61    51 S   CT   _C12    51     1.55557   106.89467     6.94851
   62    61 S   HC   _H5_    52     1.10181   105.81466   -90.64616
   63    54 S   CT   _C21    65     1.53405   113.79322   174.02683
   64    63 S   HC   _H27    66     1.09701   109.84279    69.37062
   65    63 S   HC   _H28    67     1.09776   108.32507  -176.07524
   66    43 S   CT   _C8_    53     1.54707   113.27242  -175.83745
   67    63 S   CO   _C22    68     1.52740   113.61011   -53.98724
   68    61 S   CO   _C13    98     1.54865   112.41357   153.82223
   69    66 S   CT   _C7_    54     1.53290   106.02388   -63.43550
   70    69 S   HC   _H12    55     1.09896   110.25585   -64.55829
   71    69 S   HC   _H13    56     1.09409   110.88045   179.74359
   72    67 S   CT   _C23    69     1.53620   111.82538    49.14960
   73    72 S   HC   _H29    70     1.09896   107.97791  -171.14918
   74    72 S   HC   _H30    71     1.09523   108.98231    74.33022
   75    67 S   OS   _O38    75     1.43948   109.54831   -72.57798
   76    66 S   CT   _C30    94     1.54567   113.89326    57.53672
   77    76 S   HC   _H41    95     1.09380   112.31472    61.84804
   78    76 S   HC   _H42    96     1.09307   112.93877   -58.74712
   79    76 S   HC   _H43    97     1.09499   110.83805  -177.63876
   80    68 S   OS   _O35    99     1.44643   108.31033    61.91587
   81    68 S   CT   _C16   107     1.52805   113.06899   179.50425
   82    81 S   HC   _H22   108     1.09665   110.62264  -167.48951
   83    81 S   HC   _H23   109     1.09295   111.85705    74.18013
   84    81 S   HC   _H24   110     1.09486   111.37112   -49.12866
   85    69 S   CT   _C6_    57     1.54716   113.08973    57.44840
   86    85 S   HC   _H3_    58     1.09468   109.41617    70.29797
   87    33 S   CT   _C24    72     1.55504   115.56629   155.49922
   88    75 S   CT   _C27    76     1.42598   105.09950  -106.14647
   89    88 S   HC   _H34    77     1.09265   110.76359  -152.37813
   90    88 S   HC   _H35    78     1.09529   108.17075    87.80834
   91    80 S   CT   _C14   100     1.42794   105.60932  -116.43773
   92    91 S   HC   _H18   101     1.09290   110.63397  -146.81534
   93    91 S   HC   _H19   102     1.09464   108.13167    94.03278
   94    87 S   OH   _O37    73     1.45260   103.93847  -169.14117
   95    94 S   HO   _H33    74     0.97255   108.37239    71.49896
   96    88 S   CT   _C28    79     1.50207   103.22779   -30.63526
   97    96 S   HC   _H36    80     1.09265   113.44595   158.78148
   98    96 S   HC   _H37    81     1.09534   111.66877   -77.08946
   99    85 S   OS   _O34    87     1.44805   106.09969  -171.84958
  100    91 S   CT   _C15   103     1.50270   104.21098   -24.76422
  101   100 S   HC   _H20   104     1.09273   113.33614   155.93007
  102   100 S   HC   _H21   105     1.09523   111.68410   -80.38105
  103    67 S   OS   _O39    82     1.44113   108.17907   168.87757
  104    99 S   CO4  _C5_    88     1.36360   117.64759   -83.60132
  105   104 S   O    _O33    89     1.22306   126.50986    -0.67027
  106    68 S   OS   _O36   106     1.43436   111.60820   -57.82810
  107   104 S   CT   _C4_    90     1.49848   109.42572   179.42088
  108   107 S   HC   _H9_    91     1.09290   109.82121   -60.54254
  109   107 S   HC   _H10    92     1.09377   109.35723  -179.55238
  110   107 S   HC   _H11    93     1.09287   109.85800    61.37139
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   6   5  20   8  22   9  22   8  11   6
   5  21  11   5   4  16   7   6   8   3   2   1  19   7  11   5
   4  14  13  14  10   5   4   9   5   4   8   4   2   1   1  11
   6   3   2   1   6   2   3   6   5   4   6   5   4   1   1   3
   2   1   6   3   2   1   1   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    87    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    72    87    94  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    72    73    74    87    94    95    57  
   38    39    40    41    50    72    87    94  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    85    45    46    50    72    87    94  
   40    41    42    43    45    87  
   41    42    43    45    87  
   42    43    44    47    48    49    51    61    66    69    85    86    45    46    50    54    87    57    99    76  
   43    44    47    66    85    45    46    50  
   44    47    48    49    51    52    53    61    62    66    69    70    71    85    45    46    50    76    77    78    79    68  
   47    48    49    51    61    66    69    45    76  
   46    50    54    55    56    63    72    87    94    57    58    59    60    99   104    47    66    69    70    71    85    86  
   50    54    87    57    99    69    85    86  
   48    49    51    52    53    61    62    66    69    76    68  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    72    73    74    87    94    95    57    58    59    60    99    69    85    86  
   52    53    61    62    66    69    76    68    80   106    81  
   53    61    62    66    68  
   61    62    66    68  
   55    56    63    64    65    67    72    87    94    75   103    57    58    59    60    85  
   56    63    64    65    67    87    57  
   63    64    65    67    87    57  
   58    59    60    63    72    85    87    94  
   59    60    87  
   60    87  
   87  
   62    66    69    70    71    85    76    77    78    79    68    80    91   100   106    81    82    83    84  
   66    69    76    68    80   106    81  
   64    65    67    72    73    74    87    75    88    96   103  
   65    67    72    75   103  
   67    72    75   103  
   69    70    71    85    86    99    76    77    78    79    68    80   106    81  
   72    73    74    87    94    75    88    89    90    96    97    98   103  
   80    91    92    93   100   101   102   106    81    82    83    84    69    76  
   70    71    85    86    99   104    76    77    78    79  
   71    85    86    99    76  
   85    86    99    76  
   73    74    87    94    95    75    88    96   103  
   74    87    94    75   103  
   87    94    75   103  
   88    89    90    96    97    98   103    87  
   77    78    79    85  
   78    79  
   79  
    0  
   91    92    93   100   101   102   106    81    82    83    84  
   82    83    84    91   100   106  
   83    84   106  
   84   106  
  106  
   86    87    99   104   105   107  
   99   104  
   94    95   103  
   89    90    96    97    98   103  
   90    96    97    98   103  
   96    97    98   103  
   92    93   100   101   102   106  
   93   100   101   102   106  
  100   101   102   106  
   95  
    0  
   97    98   103  
   98   103  
  103  
  104   105   107   108   109   110  
  101   102   106  
  102   106  
  106  
    0  
  105   107   108   109   110  
  107   108   109   110  
    0  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  106   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    87   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   250.000  1.527
   66    69   268.000  1.529
   66    76   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    85   268.000  1.529
   85    86   340.000  1.090
   85    45   268.000  1.529
   85    99   320.000  1.410
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    87   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   250.000  1.527
   67    72   250.000  1.527
   67    75   320.000  1.380
   67   103   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    87   268.000  1.529
   87    94   320.000  1.410
   94    95   553.000  0.945
   75    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   103   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   99   104   214.000  1.327
  104   105   570.000  1.229
  104   107   317.000  1.522
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    80   320.000  1.380
   68   106   320.000  1.380
   68    81   250.000  1.527
   80    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   106   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    87    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    87    50    58.35000  112.70000
   33    87    72    58.35000  112.70000
   33    87    94    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    85    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    69    58.35000  112.70000
   43    66    76    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    68    75.00000  109.43000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    69    58.35000  112.70000
   61    66    76    58.35000  112.70000
   61    68    80    90.00000  108.56700
   61    68   106    90.00000  108.56700
   61    68    81    65.00000  112.71400
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    85    58.35000  112.70000
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    79    37.50000  110.70000
   69    85    86    37.50000  110.70000
   69    85    45    58.35000  112.70000
   69    85    99    50.00000  109.50000
   71    69    70    33.00000  107.80000
   85    69    70    37.50000  110.70000
   85    69    71    37.50000  110.70000
   85    45    46    37.50000  110.70000
   85    45    50    58.35000  112.70000
   85    99   104    83.00000  116.90000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    85    86    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    87    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    87    72    58.35000  112.70000
   50    87    94    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    75.00000  109.43000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    72    65.00000  112.71400
   63    67    75    90.00000  108.56700
   63    67   103    90.00000  108.56700
   65    63    64    33.00000  107.80000
   67    63    64    45.00000  108.72000
   67    63    65    45.00000  108.72000
   67    72    73    45.00000  108.72000
   67    72    74    45.00000  108.72000
   67    72    87    75.00000  109.43000
   67    75    88    60.00000  109.50000
   67   103    96    60.00000  109.50000
   72    87    94    50.00000  109.50000
   74    72    73    33.00000  107.80000
   87    33    34    37.50000  110.70000
   87    33    38    58.35000  112.70000
   87    50    54    58.35000  112.70000
   87    72    73    37.50000  110.70000
   87    72    74    37.50000  110.70000
   87    94    95    55.00000  108.50000
   75    67    72    90.00000  108.56700
   75    88    89    35.00000  109.50000
   75    88    90    35.00000  109.50000
   75    88    96    50.00000  109.50000
   88    96    97    37.50000  110.70000
   88    96    98    37.50000  110.70000
   88    96   103    50.00000  109.50000
   90    88    89    33.00000  107.80000
   96    88    89    37.50000  110.70000
   96    88    90    37.50000  110.70000
   98    96    97    33.00000  107.80000
  103    67    72    90.00000  108.56700
  103    67    75    92.60000  111.55000
  103    96    97    35.00000  109.50000
  103    96    98    35.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    87    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   99    85    86    35.00000  109.50000
   99    85    45    50.00000  109.50000
   99   104   105    83.00000  123.40000
   99   104   107    81.00000  111.40000
  104   107   108    35.00000  109.50000
  104   107   109    35.00000  109.50000
  104   107   110    35.00000  109.50000
  107   104   105    80.00000  120.40000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   76    66    69    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    61    62    45.00000  108.72000
   68    61    66    75.00000  109.43000
   68    80    91    60.00000  109.50000
   68   106   100    60.00000  109.50000
   68    81    82    45.00000  108.72000
   68    81    83    45.00000  108.72000
   68    81    84    45.00000  108.72000
   80    91    92    35.00000  109.50000
   80    91    93    35.00000  109.50000
   80    91   100    50.00000  109.50000
   91   100   101    37.50000  110.70000
   91   100   102    37.50000  110.70000
   91   100   106    50.00000  109.50000
   93    91    92    33.00000  107.80000
  100    91    92    37.50000  110.70000
  100    91    93    37.50000  110.70000
  102   100   101    33.00000  107.80000
  106    68    80    92.60000  111.55000
  106   100   101    35.00000  109.50000
  106   100   102    35.00000  109.50000
   81    68    80    90.00000  108.56700
   81    68   106    90.00000  108.56700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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
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   54    63   -67    72  -0.07550 -1.0 2.0
   54    63   -67    72   0.20000  1.0 3.0
   54    63    67    75   0.62750  1.0 1.0
   54    63    67    75  -0.30950 -1.0 2.0
   54    63    67    75   0.27300  1.0 3.0
   54    63    67   103   0.62750  1.0 1.0
   54    63    67   103  -0.30950 -1.0 2.0
   54    63    67   103   0.27300  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    67   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    67   0.15000  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    87   0.56750  1.0 1.0
   63    67    72    87  -0.07550 -1.0 2.0
   63    67    72    87   0.20000  1.0 3.0
   63    67    75    88   0.06250  1.0 1.0
   63    67    75    88  -0.01100 -1.0 2.0
   63    67    75    88   0.28050  1.0 3.0
   63    67   103    96   0.06250  1.0 1.0
   63    67   103    96  -0.01100 -1.0 2.0
   63    67   103    96   0.28050  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    67    75   0.23400  1.0 3.0
   64    63    67   103   0.23400  1.0 3.0
   65    63    67    72   0.15000  1.0 3.0
   65    63    67    75   0.23400  1.0 3.0
   65    63    67   103   0.23400  1.0 3.0
   67    72    87    33   3.97050  1.0 1.0
   67    72   -87    50   3.97050  1.0 1.0
   67    72    87    94   0.86500  1.0 1.0
   67    72    87    94  -0.17500 -1.0 2.0
   67    72    87    94   0.20800  1.0 3.0
   67    75    88    89   0.37050  1.0 3.0
   67    75    88    90   0.37050  1.0 3.0
   67    75   -88    96   0.06250  1.0 1.0
   67    75   -88    96  -0.01100 -1.0 2.0
   67    75   -88    96   0.28050  1.0 3.0
   72    67    75    88   0.06250  1.0 1.0
   72    67    75    88  -0.01100 -1.0 2.0
   72    67    75    88   0.28050  1.0 3.0
   72    67   103    96   0.06250  1.0 1.0
   72    67   103    96  -0.01100 -1.0 2.0
   72    67   103    96   0.28050  1.0 3.0
   72    87    94    95  -0.11600  1.0 1.0
   72    87    94    95  -0.09450 -1.0 2.0
   72    87    94    95   0.21250  1.0 3.0
   73    72    87    33   0.15000  1.0 3.0
   73    72    87    50   0.15000  1.0 3.0
   73    72    87    94   0.23400  1.0 3.0
   74    72    87    33   0.15000  1.0 3.0
   74    72    87    50   0.15000  1.0 3.0
   74    72    87    94   0.23400  1.0 3.0
   87    33    38    39   0.15000  1.0 3.0
   87    33    38    40   0.15000  1.0 3.0
   87    33   -38    41   0.56750  1.0 1.0
   87    33   -38    41  -0.07550 -1.0 2.0
   87    33   -38    41   0.20000  1.0 3.0
   87    50    54    55   0.15000  1.0 3.0
   87    50    54    56   0.15000  1.0 3.0
   87    50   -54    63   0.56750  1.0 1.0
   87    50   -54    63  -0.07550 -1.0 2.0
   87    50   -54    63   0.20000  1.0 3.0
   87    50    57    58   0.15000  1.0 3.0
   87    50    57    59   0.15000  1.0 3.0
   87    50    57    60   0.15000  1.0 3.0
   75    67    72    73   0.23400  1.0 3.0
   75    67    72    74   0.23400  1.0 3.0
   75    67    72    87   0.62750  1.0 1.0
   75    67    72    87  -0.30950 -1.0 2.0
   75    67    72    87   0.27300  1.0 3.0
   75    67  -103    96  -0.53350  1.0 1.0
   75    67  -103    96  -0.78350 -1.0 2.0
   75    67  -103    96   0.33750  1.0 3.0
   75    88    96    97   0.23400  1.0 3.0
   75    88    96    98   0.23400  1.0 3.0
   75    88   -96   103   1.11900  1.0 1.0
   75    88   -96   103  -1.16350 -1.0 2.0
   75    88   -96   103  -0.34150  1.0 3.0
   88    96  -103    67   0.06250  1.0 1.0
   88    96  -103    67  -0.01100 -1.0 2.0
   88    96  -103    67   0.28050  1.0 3.0
   89    88    96    97   0.15000  1.0 3.0
   89    88    96    98   0.15000  1.0 3.0
   89    88    96   103   0.23400  1.0 3.0
   90    88    96    97   0.15000  1.0 3.0
   90    88    96    98   0.15000  1.0 3.0
   90    88    96   103   0.23400  1.0 3.0
   97    96   103    67   0.37050  1.0 3.0
   98    96   103    67   0.37050  1.0 3.0
  103    67    72    73   0.23400  1.0 3.0
  103    67    72    74   0.23400  1.0 3.0
  103    67    72    87   0.62750  1.0 1.0
  103    67    72    87  -0.30950 -1.0 2.0
  103    67    72    87   0.27300  1.0 3.0
  103    67   -75    88  -0.53350  1.0 1.0
  103    67   -75    88  -0.78350 -1.0 2.0
  103    67   -75    88   0.33750  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    87    33   0.56750  1.0 1.0
   57    50    87    33  -0.07550 -1.0 2.0
   57    50    87    33   0.20000  1.0 3.0
   57    50    87    72   0.56750  1.0 1.0
   57    50    87    72  -0.07550 -1.0 2.0
   57    50    87    72   0.20000  1.0 3.0
   57    50    87    94   0.86500  1.0 1.0
   57    50    87    94  -0.17500 -1.0 2.0
   57    50    87    94   0.20800  1.0 3.0
   99    85    45    41   0.62750  1.0 1.0
   99    85    45    41  -0.30950 -1.0 2.0
   99    85    45    41   0.27300  1.0 3.0
   99    85    45    46   0.23400  1.0 3.0
   99    85    45    50   0.62750  1.0 1.0
   99    85    45    50  -0.30950 -1.0 2.0
   99    85    45    50   0.27300  1.0 3.0
   99   104   107   108   0.00000  1.0 1.0
   99   104   107   109   0.00000  1.0 1.0
   99   104   107   110   0.00000  1.0 1.0
  105   104   107   108   0.00000  1.0 1.0
  105   104   107   109   0.00000  1.0 1.0
  105   104   107   110   0.00000  1.0 1.0
   76    66    69    70   0.15000  1.0 3.0
   76    66    69    71   0.15000  1.0 3.0
   76    66    69    85   0.56750  1.0 1.0
   76    66    69    85  -0.07550 -1.0 2.0
   76    66    69    85   0.20000  1.0 3.0
   68    61    66    43   3.97050  1.0 1.0
   68    61    66    69   3.97050  1.0 1.0
   68    61    66    76   3.97050  1.0 1.0
   68    80    91    92   0.37050  1.0 3.0
   68    80    91    93   0.37050  1.0 3.0
   68    80   -91   100   0.06250  1.0 1.0
   68    80   -91   100  -0.01100 -1.0 2.0
   68    80   -91   100   0.28050  1.0 3.0
   80    68  -106   100  -0.53350  1.0 1.0
   80    68  -106   100  -0.78350 -1.0 2.0
   80    68  -106   100   0.33750  1.0 3.0
   80    68    81    82   0.23400  1.0 3.0
   80    68    81    83   0.23400  1.0 3.0
   80    68    81    84   0.23400  1.0 3.0
   80    91   100   101   0.23400  1.0 3.0
   80    91   100   102   0.23400  1.0 3.0
   80    91  -100   106   1.11900  1.0 1.0
   80    91  -100   106  -1.16350 -1.0 2.0
   80    91  -100   106  -0.34150  1.0 3.0
   91   100  -106    68   0.06250  1.0 1.0
   91   100  -106    68  -0.01100 -1.0 2.0
   91   100  -106    68   0.28050  1.0 3.0
   92    91   100   101   0.15000  1.0 3.0
   92    91   100   102   0.15000  1.0 3.0
   92    91   100   106   0.23400  1.0 3.0
   93    91   100   101   0.15000  1.0 3.0
   93    91   100   102   0.15000  1.0 3.0
   93    91   100   106   0.23400  1.0 3.0
  101   100   106    68   0.37050  1.0 3.0
  102   100   106    68   0.37050  1.0 3.0
  106    68   -80    91  -0.53350  1.0 1.0
  106    68   -80    91  -0.78350 -1.0 2.0
  106    68   -80    91   0.33750  1.0 3.0
  106    68    81    82   0.23400  1.0 3.0
  106    68    81    83   0.23400  1.0 3.0
  106    68    81    84   0.23400  1.0 3.0
   81    68    80    91   0.06250  1.0 1.0
   81    68    80    91  -0.01100 -1.0 2.0
   81    68    80    91   0.28050  1.0 3.0
   81    68   106   100   0.06250  1.0 1.0
   81    68   106   100  -0.01100 -1.0 2.0
   81    68   106   100   0.28050  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
   36    30    35    37  10.50000 -1.0 2.0
   99   107   104   105  10.50000 -1.0 2.0
END
