* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    222    358     675
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02105    86.36433   -74.83172
    3     1 S   H    _H1_     3     1.02048    93.94574    33.67817
    4     1 S   H    _H2_     4     1.02139    33.39146   152.26535
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C23    36     1.86637    96.68927  -158.12846
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C28    37     1.55690   107.18230    59.98545
   38    37 S   HC   _H40    38     1.09996   109.36754   -68.50944
   39    37 S   HC   _H41    39     1.09375   112.17990   175.91659
   40    33 S   CT   _C24    48     1.59574   112.90597  -174.47969
   41    33 S   CT   _C22    98     1.55463   104.20003   -54.77139
   42    41 S   HC   _H34    99     1.09869   110.53768    61.97740
   43    41 S   HC   _H35   100     1.09797   111.05738   -54.91062
   44    37 S   CD   _C27    40     1.51031   115.28713    52.41125
   45    40 S   CT   _C19    49     1.59174   109.14983   169.42445
   46    45 S   HC   _H6_    50     1.09709   107.41000    60.42651
   47    40 S   CT   _C29   105     1.56296   111.11235    49.45802
   48    47 S   HC   _H43   106     1.07771   108.04120    59.13801
   49    47 S   HC   _H44   107     1.07714   108.02858   -60.76617
   50    47 S   HC   _H45   108     1.07670   108.07766   179.19376
   51    44 S   NI   _N4_    41     1.28277   127.02475    65.48805
   52    45 S   CT   _C18    51     1.55608   114.85846   175.74338
   53    52 S   HC   _H30    52     1.09287   110.82200    56.01616
   54    52 S   HC   _H31    53     1.09593   109.88967   -61.18043
   55    44 S   OH   _O33   109     1.35296   114.22963  -114.22923
   56    55 S   HO   _H42   110     0.97277   111.38402  -179.91607
   57    51 S   CT   _C26    42     1.45728   118.28768     0.83087
   58    57 S   HC   _H38    43     1.09613   106.35793   174.72727
   59    57 S   HC   _H39    44     1.09357   111.54242    60.51447
   60    52 S   CT   _C17    54     1.53917   113.78341   178.73051
   61    60 S   HC   _H28    55     1.09794   108.51628    68.76508
   62    60 S   HC   _H29    56     1.09652   109.51279  -175.64837
   63    57 S   CT   _C25    45     1.52670   111.48312   -68.11875
   64    63 S   HC   _H36    46     1.09710   107.47609  -150.85439
   65    63 S   HC   _H37    47     1.09792   108.95660   -38.15384
   66    60 S   CT   _C16    57     1.53387   111.63356   -52.74607
   67    66 S   CT   _C15    58     1.54257   107.61929    56.99128
   68    67 S   HC   _H5_    59     1.10326   108.27235    55.25876
   69    66 S   CT   _C30   101     1.54903   109.75581   -67.72125
   70    69 S   HC   _H46   102     1.08177   108.73030   179.98022
   71    69 S   HC   _H47   103     1.08140   108.70623    59.98670
   72    69 S   HC   _H48   104     1.08178   108.70529   -59.95095
   73    67 S   CT   _C14    60     1.52620   103.62187   167.30035
   74    73 S   HC   _H26    61     1.09480   111.96580  -154.72219
   75    73 S   HC   _H27    62     1.09507   111.53482    84.60417
   76    45 S   CT   _C20    93     1.56080   112.30419   -54.92753
   77    76 S   HC   _H7_    94     1.09509   109.66947   -62.64828
   78    73 S   CT   _C13    63     1.54034   104.12258   -34.49933
   79    78 S   HC   _H24    64     1.09582   109.80099   128.98198
   80    78 S   HC   _H25    65     1.09583   111.00550  -112.51322
   81    76 S   CT   _C21    95     1.53111   110.83688    55.86033
   82    81 S   HC   _H32    96     1.09620   109.83272  -175.55274
   83    81 S   HC   _H33    97     1.09661   110.33257    67.63964
   84    66 S   CT   _C12    66     1.54915   114.73330   166.33168
   85    84 S   HC   _H4_    67     1.09947   108.66936   -42.19984
   86    84 S   CT   _C5_    68     1.52194   116.55965    78.85584
   87    86 S   HC   _H3_    69     1.09972   108.65529    39.87856
   88    86 S   CT   _C4_    70     1.53346   109.89109   -77.48570
   89    88 S   HC   _H8_    71     1.09522   111.10745   -61.86239
   90    88 S   HC   _H9_    72     1.09571   110.67709    58.16072
   91    88 S   HC   _H10    73     1.09461   111.09561   177.71689
   92    86 S   CT   _C6_    74     1.54413   112.79564   160.09336
   93    92 S   HC   _H11    75     1.09774   109.62566  -180.00000
   94    92 S   HC   _H12    76     1.09685   108.39119   -63.85458
   95    92 S   CT   _C7_    77     1.53173   113.33597    57.43477
   96    95 S   HC   _H13    78     1.09555   109.56286    63.00541
   97    95 S   HC   _H14    79     1.09581   109.94301   -53.49428
   98    95 S   CT   _C8_    80     1.53441   113.50834  -177.34827
   99    98 S   HC   _H15    81     1.09894   108.39948    60.01549
  100    98 S   HC   _H16    82     1.09831   107.91658   -54.44950
  101    98 S   CT   _C9_    83     1.54088   116.17790  -177.15174
  102   101 S   HC   _H17    84     1.09606   109.20694    57.22383
  103   101 S   CT   _C10    85     1.53165   109.65124   -59.95567
  104   103 S   HC   _H18    86     1.09573   111.27283   -61.54554
  105   103 S   HC   _H19    87     1.09524   110.83574   178.25146
  106   103 S   HC   _H20    88     1.09550   110.80880    58.70169
  107   101 S   CT   _C11    89     1.52817   112.52606   177.57295
  108   107 S   HC   _H21    90     1.09447   111.32265    59.15162
  109   107 S   HC   _H22    91     1.09502   111.26394   179.89721
  110   107 S   HC   _H23    92     1.09565   110.83170   -59.95563
  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  15   6   5  25  12   5   4   7  24  10   9   3
   2   1   8  13   6   5   2   1   5   4   3  15   5   4   3   1
   1  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    40    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    63    40    45    81    41    42    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    51    57    63    64    65    40    45    46    52    76    81    82    83    41    42    43    47    48    49    50    55  
   35    36  
   36  
    0  
   38    39    44    51    57    63    40    45    81    41    42    43    47    55    56  
   39    44    51    40    41    55  
   44    51    40    41    55  
   45    46    52    53    54    60    67    76    77    81    41    42    43    47    48    49    50    44    51    57    58    59    63    64    65  
   42    43    47    44    45    63    67    76    77    81    82    83  
   43    76    81    82    83  
   76    81    82    83  
   51    57    58    59    63    55    56  
   46    52    53    54    60    61    62    66    67    68    73    76    77    81    82    83    47    48    49    50    57    63    64    65  
   52    53    54    60    67    76    77    81    47    63  
   48    49    50    52    57    63    64    65    76  
   49    50    63  
   50    63  
   63  
   57    58    59    63    64    65    55    56  
   53    54    60    61    62    66    67    84    76    77    81    69    63  
   54    60    61    62    66    76  
   60    61    62    66    76  
   56    57  
    0  
   58    59    63    64    65  
   59    63    64    65  
   63    64    65  
   61    62    66    67    68    73    78    84    85    86    76    69    70    71    72  
   62    66    67    84    69  
   66    67    84    69  
   64    65    76  
   65  
    0  
   67    68    73    74    75    78    79    80    84    85    86    87    88    92    76    77    81    69    70    71    72  
   68    73    74    75    78    79    80    84    85    86    76    77    81    82    83    69    70    71    72  
   73    74    75    78    84    76    77    81    69  
   70    71    72    73    76    78    84    85    86  
   71    72    84  
   72    84  
   84  
   74    75    78    79    80    84    85    86    76    77    81  
   75    78    79    80    84    76  
   78    79    80    84    76  
   77    81    82    83    78    84  
   81    82    83  
   79    80    84    85    86    87    88    92  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    0  
   85    86    87    88    89    90    91    92    93    94    95  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95    96    97    98  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100   101   102   103   107  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   107  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  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   0.167500   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  -0.083900   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.438600   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.100200   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  110   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    40   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   270.000  1.508
   44    51   500.000  1.261
   44    55   440.000  1.374
   51    57   315.000  1.435
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    45   268.000  1.529
   40    47   268.000  1.529
   45    46   340.000  1.090
   45    52   268.000  1.529
   45    76   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   268.000  1.529
   66    84   268.000  1.529
   66    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  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    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    70.00000  111.76100
   33    40    63    58.35000  112.70000
   33    40    45    58.35000  112.70000
   33    40    47    58.35000  112.70000
   33    41    81    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   37    44    51    65.00000  122.10100
   37    44    55    85.00000  110.80600
   39    37    38    33.00000  107.80000
   44    37    38    45.00000  109.49600
   44    37    39    45.00000  109.49600
   44    51    57    70.00000  113.48600
   44    55    56    70.00000  105.55000
   51    57    58    50.00000  110.29200
   51    57    59    50.00000  110.29200
   51    57    63    80.00000  110.18800
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    40    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    40    45    58.35000  112.70000
   63    40    47    58.35000  112.70000
   65    63    64    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    52    58.35000  112.70000
   40    45    76    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    60    58.35000  112.70000
   45    76    67    58.35000  112.70000
   45    76    77    37.50000  110.70000
   45    76    81    58.35000  112.70000
   52    45    46    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    66    67    58.35000  112.70000
   60    66    84    58.35000  112.70000
   60    66    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    73    58.35000  112.70000
   66    67    76    58.35000  112.70000
   66    84    78    58.35000  112.70000
   66    84    85    37.50000  110.70000
   66    84    86    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    81    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    84    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    58.35000  112.70000
   80    78    79    33.00000  107.80000
   84    66    67    58.35000  112.70000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    58.35000  112.70000
   84    86    92    58.35000  112.70000
   86    84    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    58.35000  112.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    58.35000  112.70000
   98   101   107    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   76    45    46    37.50000  110.70000
   76    45    52    58.35000  112.70000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    41    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    41    42    37.50000  110.70000
   81    41    43    37.50000  110.70000
   83    81    82    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    33    40    58.35000  112.70000
   41    81    82    37.50000  110.70000
   41    81    83    37.50000  110.70000
   43    41    42    33.00000  107.80000
   69    66    67    58.35000  112.70000
   69    66    84    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   47    40    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   55    44    51    90.00000  118.59000
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
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   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.56750  1.0 1.0
   88    86    92    95  -0.07550 -1.0 2.0
   88    86    92    95   0.20000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   92    95    98    99   0.15000  1.0 3.0
   92    95    98   100   0.15000  1.0 3.0
   92    95    98   101   0.56750  1.0 1.0
   92    95    98   101  -0.07550 -1.0 2.0
   92    95    98   101   0.20000  1.0 3.0
   93    92    95    96   0.15000  1.0 3.0
   93    92    95    97   0.15000  1.0 3.0
   93    92    95    98   0.15000  1.0 3.0
   94    92    95    96   0.15000  1.0 3.0
   94    92    95    97   0.15000  1.0 3.0
   94    92    95    98   0.15000  1.0 3.0
   95    98   101   102   0.15000  1.0 3.0
   95    98   101   103   0.56750  1.0 1.0
   95    98   101   103  -0.07550 -1.0 2.0
   95    98   101   103   0.20000  1.0 3.0
   95    98   101   107   0.56750  1.0 1.0
   95    98   101   107  -0.07550 -1.0 2.0
   95    98   101   107   0.20000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   98   101   103   104   0.15000  1.0 3.0
   98   101   103   105   0.15000  1.0 3.0
   98   101   103   106   0.15000  1.0 3.0
   98   101   107   108   0.15000  1.0 3.0
   98   101   107   109   0.15000  1.0 3.0
   98   101   107   110   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   107   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   107   0.15000  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   76    45    52    53   0.15000  1.0 3.0
   76    45    52    54   0.15000  1.0 3.0
   76    45   -52    60   0.56750  1.0 1.0
   76    45   -52    60  -0.07550 -1.0 2.0
   76    45   -52    60   0.20000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    78   0.56750  1.0 1.0
   76    67    73    78  -0.07550 -1.0 2.0
   76    67    73    78   0.20000  1.0 3.0
   76    81   -41    33   0.56750  1.0 1.0
   76    81   -41    33  -0.07550 -1.0 2.0
   76    81   -41    33   0.20000  1.0 3.0
   76    81    41    42   0.15000  1.0 3.0
   76    81    41    43   0.15000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    41   0.15000  1.0 3.0
   82    81    41    33   0.15000  1.0 3.0
   82    81    41    42   0.15000  1.0 3.0
   82    81    41    43   0.15000  1.0 3.0
   83    81    41    33   0.15000  1.0 3.0
   83    81    41    42   0.15000  1.0 3.0
   83    81    41    43   0.15000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    44   0.34400  1.0 1.0
   41    33    37    44   0.09450 -1.0 2.0
   41    33    37    44   0.11100  1.0 3.0
   41    33    40    63   0.56750  1.0 1.0
   41    33    40    63  -0.07550 -1.0 2.0
   41    33    40    63   0.20000  1.0 3.0
   41    33   -40    45   0.56750  1.0 1.0
   41    33   -40    45  -0.07550 -1.0 2.0
   41    33   -40    45   0.20000  1.0 3.0
   41    33    40    47   0.56750  1.0 1.0
   41    33    40    47  -0.07550 -1.0 2.0
   41    33    40    47   0.20000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    73   0.56750  1.0 1.0
   69    66    67    73  -0.07550 -1.0 2.0
   69    66    67    73   0.20000  1.0 3.0
   69    66    67    76   0.56750  1.0 1.0
   69    66    67    76  -0.07550 -1.0 2.0
   69    66    67    76   0.20000  1.0 3.0
   69    66    84    78   0.56750  1.0 1.0
   69    66    84    78  -0.07550 -1.0 2.0
   69    66    84    78   0.20000  1.0 3.0
   69    66    84    85   0.15000  1.0 3.0
   69    66    84    86   0.56750  1.0 1.0
   69    66    84    86  -0.07550 -1.0 2.0
   69    66    84    86   0.20000  1.0 3.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    52   0.56750  1.0 1.0
   47    40    45    52  -0.07550 -1.0 2.0
   47    40    45    52   0.20000  1.0 3.0
   47    40    45    76   0.56750  1.0 1.0
   47    40    45    76  -0.07550 -1.0 2.0
   47    40    45    76   0.20000  1.0 3.0
   55    44    51    57   6.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    55    44    51  10.50000 -1.0 2.0
END
