* LIGAND DATABASE FILE (OPLS2005)
*
001     118   122    219    345     631
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02046    94.21321    33.10882
    3     1 S   H    _H1_     3     1.02077    33.52637   151.12820
    4     1 S   H    _H2_     4     1.02125    85.94812   -75.41863
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C24    36     1.83428    97.08067  -158.13685
   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   _C25    37     1.55693   113.99613    60.00535
   38    37 S   HC   _H4_    38     1.06131   112.78169   -90.60999
   39    33 S   CT   _C29   115     1.54699   105.88126   -59.94294
   40    39 S   HC   _H22   116     1.08834   109.72357   -56.96974
   41    39 S   HC   _H23   117     1.08855   109.68880  -176.90826
   42    39 S   HC   _H24   118     1.08754   109.74059    63.10619
   43    37 S   C    _C26    39     1.52265   102.44897   154.63882
   44    43 S   O    _O36    40     1.22218   125.47226   163.84621
   45    37 S   CM   _C27   110     1.49540   118.11941    37.91092
   46    45 S   HC   _H19   111     1.08697   117.13776    49.57945
   47    43 S   N    _N6_    41     1.39227   107.79431   -18.10261
   48    47 S   H    _H18    42     1.02470   123.32402   178.89111
   49    45 S   CM   _C28   112     1.33706   124.05951  -130.29094
   50    49 S   HC   _H20   113     1.08476   120.46034  -180.00000
   51    49 S   HC   _H21   114     1.08518   121.53876    -0.05595
   52    33 S   CT   _C23    43     1.54686   114.55752   179.44928
   53    52 S   HC   _H3_    44     1.06338   112.30481    90.41665
   54    52 S   CM   _C22    45     1.49682   117.66611   -37.19861
   55    54 S   HC   _H17    46     1.08621   117.20806   -80.81287
   56    54 S   CM   _C21    47     1.33809   124.00110    99.17946
   57    56 S   CT   _C30    48     1.50864   124.32730   179.98022
   58    57 S   HC   _H5_    49     1.09581   111.64345   -40.95579
   59    57 S   CT   _C31    50     1.53438   101.28248  -159.84553
   60    59 S   HC   _H6_    51     1.09542   112.71031  -134.73915
   61    57 S   CT   _C35   106     1.52850   111.30803    81.39884
   62    61 S   HC   _H29   107     1.08819   109.81284    56.30149
   63    61 S   HC   _H30   108     1.08807   109.72126   -63.73177
   64    61 S   HC   _H31   109     1.08901   109.71595   176.33414
   65    59 S   CD   _C20    52     1.52015   100.72072   -17.21517
   66    59 S   CT   _C32    97     1.52551   112.36533   100.05203
   67    66 S   HC   _H25    98     1.08780   108.03880  -151.45381
   68    66 S   HC   _H26    99     1.08823   106.93045   -35.41377
   69    65 S   CM   _C15    53     1.45208   120.75117  -167.29194
   70    56 S   NI   _N5_    96     1.37431   123.39694     2.09788
   71    66 S   CT   _C33   100     1.51483   111.67077    84.89157
   72    71 S   HC   _H27   101     1.09807   107.55097  -179.44327
   73    71 S   HC   _H28   102     1.09701   110.19114   -63.17587
   74    69 S   CM   _C16    54     1.46388   127.82810  -150.04100
   75    71 S   CO3  _C34   103     1.53321   116.98021    61.35406
   76    75 S   O2Z  _O38   104     1.26207   116.47935    59.92892
   77    75 S   O2Z  _O37   105     1.26458   114.23176  -120.72004
   78    74 S   CMA  _C17    55     1.35690   111.29677  -180.00000
   79    78 S   OM   _O33    56     1.25384   138.20154  -179.94405
   80    74 S   CO4  _C18    89     1.46030   125.03677     0.12820
   81    80 S   O    _O34    90     1.22374   123.81210  -120.03257
   82    78 S   CM   _C13    57     1.45345   104.24969     0.03426
   83    80 S   OS   _O35    91     1.35865   108.92259    59.90554
   84    82 S   CM   _C12    58     1.34895   142.69969   179.97202
   85    83 S   CT   _C19    92     1.43178   115.60177  -180.00000
   86    85 S   HC   _H14    93     1.09140   109.53763  -179.97202
   87    85 S   HC   _H15    94     1.09297   109.50715    59.20638
   88    85 S   HC   _H16    95     1.09280   108.93236   -60.35897
   89    84 S   CM   _C11    59     1.48559   107.06278   179.95154
   90    84 S   CT   _C36    85     1.48821   130.04607     0.00000
   91    90 S   HC   _H33    86     1.09173   110.10610    89.97689
   92    90 S   HC   _H34    87     1.09233   110.09224   -30.24193
   93    90 S   HC   _H35    88     1.09216   110.06282  -149.83608
   94    89 S   NE   _N7_    60     1.38136   106.39684     0.06561
   95    94 S   H    _H32    61     1.00726   124.50630  -179.96044
   96    89 S   CM   _C10    63     1.33794   126.22200  -179.92867
   97    96 S   HC   _H13    64     1.08034   122.11733    -0.03426
   98    69 S   CM   _C14    62     1.33154   124.01797    30.02010
   99    96 S   C5A  _C9_    65     1.45907   118.76566  -179.93744
  100    99 S   C5BC _C6_    66     1.48175   122.52253  -119.97760
  101   100 S   C5BC _C7_    67     1.34735   102.83545   179.97202
  102   100 S   CT   _C5_    78     1.47965   125.32508    -0.07662
  103   102 S   HC   _H10    79     1.09744   109.11303    31.45741
  104   102 S   HC   _H11    80     1.09822   108.75594   148.93734
  105   101 S   C5A  _C8_    68     1.44235   109.44564    -0.04846
  106   101 S   CT   _C38    74     1.48769   128.45319  -180.00000
  107   106 S   HC   _H37    75     1.09153   110.08779    89.94488
  108   106 S   HC   _H38    76     1.09173   110.11182   -30.23826
  109   106 S   HC   _H39    77     1.09218   110.09181  -149.88818
  110   102 S   CT   _C4_    81     1.51889   110.96838   -90.01533
  111   110 S   HC   _H7_    82     1.09400   110.89332   -59.16476
  112   110 S   HC   _H8_    83     1.09543   110.79768  -179.43248
  113   110 S   HC   _H9_    84     1.09496   110.84199    61.16338
  114    99 S   NA   _N4_    69     1.28458   124.80610    59.90670
  115   114 S   H    _H12    70     1.01745   128.00856     0.11535
  116   105 S   CO4  _C37    71     1.44831   128.28279  -179.94065
  117   116 S   O    _O39    72     1.23346   123.19779  -179.96044
  118   116 S   HC   _H36    73     1.10946   115.93272     0.00000
  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
  18   2   1   1  17   8   9   3   2   1   9   4   6   3   6   3
   2   1   1   6   3   8   3  12  14   9  17   8   6   2   1   1
  12  10   5   4  13   2   5   4   3  10   2   1   1  10   4   8
   2  10   4  11   3   2   1   1  12   6   2   1   1   5   2   9
   3   1  11  16  14   9   5   4   9   5   2   1   1   3   2   1
   1   4   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    52    53    54    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    53    54    55    56    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    52    53    54    45    46    49    50    51    39    40    41    42  
   43    44    47    52    45    46    49    39  
   40    41    42    43    45    47    52    53    54  
   41    42    52  
   42    52  
   52  
   44    47    48    52    53    54    45    46    49  
   47    48    52    45  
   46    49    50    51    47    52  
   49    50    51  
   48    52    53    54    55    56  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    57    70  
   54    55    56  
   55    56    57    58    59    65    70    61  
   56    57    70  
   57    58    59    60    65    69    70    66    61    62    63    64  
   58    59    60    65    69    70    66    67    68    71    61    62    63    64  
   59    60    65    70    66    61    62    63    64  
   60    65    69    74    98    70    66    67    68    71    72    73    75    61    62    63    64  
   65    69    70    66    67    68    71    61  
   62    63    64    65    66    70  
   63    64  
   64  
    0  
   69    74    78    82    94    98    80    70    66    67    68    71  
   67    68    71    72    73    75    76    77    69    70  
   68    71    72    73    75  
   71    72    73    75  
   74    78    79    82    84    89    94    95    98    80    81    83    70  
   74    98  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    82    84    94    98    80    81    83    85  
   76    77  
   77  
    0  
   79    82    84    89    94    98    90    80    81    83  
   82    84    98    80  
   81    83    85    86    87    88    82    98  
   83    85  
   84    89    94    95    98    96    90    91    92    93  
   85    86    87    88  
   89    94    95    98    96    97    99    90    91    92    93  
   86    87    88  
   87    88  
   88  
    0  
   94    95    98    96    97    99   100   114    90    91    92    93  
   91    92    93    94    96    98  
   92    93  
   93  
    0  
   95    98    96    97    99  
   98    96  
   97    99   100   101   105   114   115   102    98  
   99   100   114  
    0  
  100   101   105   114   115   116   106   102   103   104   110  
  101   105   114   115   116   106   107   108   109   102   103   104   110   111   112   113  
  105   114   115   116   117   118   106   107   108   109   102   103   104   110  
  103   104   110   111   112   113   105   106   114  
  104   110   111   112   113  
  110   111   112   113  
  114   115   116   117   118   106   107   108   109  
  107   108   109   114   116  
  108   109  
  109  
    0  
  111   112   113  
  112   113  
  113  
    0  
  115   116   117   118  
  116  
  117   118  
  118  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   70   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.389700   1.8650   1.6500   0.051222218  -2.220205820
   95   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  102   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.5000   0.0660  -0.065000   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
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  115   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  116   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  117   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  118   2.4200   0.0150   0.000000   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    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    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   317.000  1.510
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   317.000  1.510
   56    70   405.000  1.380
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   270.000  1.508
   59    66   268.000  1.529
   65    69   320.000  1.464
   65    70   500.000  1.261
   69    74   380.000  1.444
   69    98   549.000  1.340
   74    78   465.000  1.376
   74    80   320.000  1.462
   78    79   745.000  1.250
   78    82   465.000  1.376
   82    84   549.000  1.340
   82    98   380.000  1.444
   84    89   380.000  1.444
   84    90   317.000  1.510
   89    94   425.000  1.378
   89    96   549.000  1.340
   94    95   434.000  1.010
   94    98   425.000  1.378
   96    97   340.000  1.080
   96    99   375.000  1.423
   99   100   546.000  1.367
   99   114   427.000  1.381
  100   101   469.000  1.424
  100   102   285.000  1.502
  101   105   546.000  1.367
  101   106   285.000  1.502
  105   114   427.000  1.381
  105   116   335.000  1.450
  114   115   434.000  1.010
  116   117   570.000  1.229
  116   118   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   80    81   570.000  1.229
   80    83   214.000  1.327
   83    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    70.00000  112.02700
   33    52    47    70.00000  110.72300
   33    52    53    37.50000  110.70000
   33    52    54    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.60000
   37    45    46    35.00000  117.00000
   37    45    49    70.00000  124.00000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  119.80000
   43    47    52    50.00000  121.90000
   47    43    44    80.00000  122.90000
   47    52    53    35.00000  109.50000
   47    52    54    75.00000  110.78400
   52    33    37    58.35000  112.70000
   52    47    48    38.00000  118.40000
   52    54    55    35.00000  117.00000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  109.50000
   54    56    57    70.00000  124.00000
   54    56    70    70.00000  120.83400
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  109.50000
   56    57    59    70.00000  112.02700
   56    57    61    70.00000  112.02700
   56    70    65    75.00000  115.77100
   57    59    60    37.50000  110.70000
   57    59    65    70.00000  111.76100
   57    59    66    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    69    60.00000  124.00000
   59    65    70    65.00000  122.10100
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    71    58.35000  112.70000
   65    59    60    45.00000  109.49600
   65    69    74    60.00000  124.00000
   65    69    98    60.00000  124.00000
   69    74    78    70.00000  117.34000
   69    74    80    65.00000  118.96000
   69    98    82    70.00000  123.01800
   69    98    94    70.00000  124.03900
   74    78    79    65.00000  137.10300
   74    78    82    70.00000  123.01800
   74    80    81    80.00000  123.72100
   74    80    83    90.00000  111.29400
   78    82    84    70.00000  117.34000
   78    82    98    70.00000  117.34000
   82    78    79    65.00000  137.10300
   82    84    89    70.00000  123.01800
   82    84    90    70.00000  124.00000
   82    98    94    70.00000  124.03900
   84    89    94    70.00000  124.03900
   84    89    96    70.00000  123.01800
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   89    94    95    35.00000  114.50000
   89    94    98    75.00000  118.45600
   89    96    97    35.00000  120.00000
   89    96    99    55.00000  128.24000
   98    69    74    70.00000  123.01800
   98    82    84    70.00000  123.01800
   98    94    95    35.00000  114.50000
   96    89    94    70.00000  124.03900
   96    99   100    50.00000  133.16000
   96    99   114    70.00000  120.38000
   99    96    97    40.00000  117.26300
   99   100   101    70.00000  107.30000
   99   100   102    60.00000  130.00000
   99   114   105    70.00000  109.80000
   99   114   115    35.00000  120.00000
  100   101   105    70.00000  107.30000
  100   101   106    60.00000  130.00000
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   110    70.00000  112.17500
  101   105   114    70.00000  107.70000
  101   105   116    55.00000  130.80000
  101   106   107    35.00000  109.50000
  101   106   108    35.00000  109.50000
  101   106   109    35.00000  109.50000
  105   114   115    35.00000  120.00000
  105   116   117    80.00000  122.40000
  105   116   118    35.00000  115.00000
  114    99   100    70.00000  107.70000
  116   105   114    70.00000  119.02500
  118   116   117    35.00000  123.00000
  106   101   105    60.00000  130.00000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  102   100   101    60.00000  130.00000
  102   110   111    37.50000  110.70000
  102   110   112    37.50000  110.70000
  102   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  110   102   103    37.50000  110.70000
  110   102   104    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   90    84    89    70.00000  124.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   80    74    78    60.00000  125.92000
   80    83    85    83.00000  116.90000
   83    80    81    83.00000  123.40000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   70    56    57    65.00000  119.96000
   70    65    69    65.00000  125.00000
   66    59    60    37.50000  110.70000
   66    59    65    70.00000  111.76100
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    75    70.00000  109.69300
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    80.00000  126.00000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    70.00000  115.00700
   45    49    50    35.00000  120.00000
   45    49    51    35.00000  120.00000
   49    45    46    35.00000  120.00000
   51    49    50    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
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   70    56    57    58   0.00000  1.0 1.0
   70    56   -57    59   0.09700  1.0 1.0
   70    56   -57    59   0.15600 -1.0 2.0
   70    56   -57    59  -0.50800  1.0 3.0
   70    56    57    61   0.09700  1.0 1.0
   70    56    57    61   0.15600 -1.0 2.0
   70    56    57    61  -0.50800  1.0 3.0
   70    65    69    74   1.09650  1.0 1.0
   70    65    69    74   0.48950 -1.0 2.0
   70    65    69    74   0.49400  1.0 3.0
   70    65    69    98   1.09650  1.0 1.0
   70    65    69    98   0.48950 -1.0 2.0
   70    65    69    98   0.49400  1.0 3.0
   66    59    65    69   0.09850  1.0 1.0
   66    59    65    69   0.15250 -1.0 2.0
   66    59    65    69  -0.50650  1.0 3.0
   66    59    65    70   0.00000  1.0 1.0
   66    71    75    76   0.41150 -1.0 2.0
   66    71    75    77   0.41150 -1.0 2.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    75  -0.11250  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    75  -0.11250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.34400  1.0 1.0
   61    57    59    65   0.09450 -1.0 2.0
   61    57    59    65   0.11100  1.0 3.0
   61    57    59    66   0.56750  1.0 1.0
   61    57    59    66  -0.07550 -1.0 2.0
   61    57    59    66   0.20000  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    47   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.34400  1.0 1.0
   39    33    37    45   0.09450 -1.0 2.0
   39    33    37    45   0.11100  1.0 3.0
   39    33    52    47   0.43900  1.0 1.0
   39    33    52    47   0.49100 -1.0 2.0
   39    33    52    47   0.28400  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    54   0.34400  1.0 1.0
   39    33    52    54   0.09450 -1.0 2.0
   39    33    52    54   0.11100  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
   37    47    43    44  10.50000 -1.0 2.0
   48    43    47    52   1.00000 -1.0 2.0
   52    55    54    56   1.10000 -1.0 2.0
   57    70    56    54   1.10000 -1.0 2.0
   59    69    65    70  10.50000 -1.0 2.0
   65    74    69    98   1.10000 -1.0 2.0
   69    80    74    78   1.10000 -1.0 2.0
   82    79    78    74   1.10000 -1.0 2.0
   78    98    82    84   1.10000 -1.0 2.0
   89    90    84    82   1.10000 -1.0 2.0
   84    94    89    96   1.10000 -1.0 2.0
   95    89    94    98   1.00000 -1.0 2.0
   82    94    98    69   1.10000 -1.0 2.0
   99    97    96    89   1.10000 -1.0 2.0
  100   114    99    96   4.00000 -1.0 2.0
  101   102   100    99   4.00000 -1.0 2.0
  105   106   101   100   4.00000 -1.0 2.0
  116   114   105   101   4.00000 -1.0 2.0
  115    99   114   105   1.00000 -1.0 2.0
  105   118   116   117  10.50000 -1.0 2.0
   74    83    80    81  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
   37    46    45    49  15.00000 -1.0 2.0
   50    51    49    45  15.00000 -1.0 2.0
END
