* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    219    336     631
    1     0 S   NP   _N1_     1    28.56260    94.63073   -22.73390
    2     1 S   H    _HN1     2     1.02835    30.34710   171.46809
    3     1 S   H    _H1_     3     1.02779    98.82922   -78.02639
    4     1 S   H    _H2_     4     1.02959    83.22556    29.55193
    5     1 S   CT   _CA1     5     1.50119   138.61670   142.86388
    6     5 S   HC   _HA1     6     1.09576   105.22339    74.13695
    7     5 S   CO3  _C1_     7     1.53775   112.40747   -46.05600
    8     7 S   O2Z  _O11     8     1.26358   115.00172   -43.59337
    9     7 S   O2Z  _O12     9     1.26239   114.91926   135.58528
   10     5 S   CT   _CB1    10     1.53096   107.42568  -167.96779
   11    10 S   HC   HB11    11     1.09826   109.29071   -50.94302
   12    10 S   HC   HB12    12     1.09818   110.43128    65.59337
   13    10 S   CT   _CG1    13     1.53015   112.69421  -172.04966
   14    13 S   HC   HG11    14     1.09594   110.46464   -64.64851
   15    13 S   HC   HG12    15     1.09657   109.95056    54.57449
   16    13 S   C    _CD1    16     1.51824   112.32446   174.90207
   17    16 S   O    _OE1    17     1.22721   123.26782    -0.63149
   18    16 S   N    _N2_    18     1.38650   111.65391   179.59700
   19    18 S   H    _HN2    19     1.01583   119.01015     1.13350
   20    18 S   CT1  _CA2    20     1.46146   123.35290   179.07719
   21    20 S   HC   _HA2    21     1.09741   109.39928    -4.91366
   22    20 S   C    _C2_    22     1.53517   108.58849  -120.45298
   23    22 S   O    _O2_    23     1.23046   122.14785  -146.44373
   24    20 S   CT   _CB2    32     1.53444   111.71532   117.09521
   25    24 S   HC   HB21    33     1.09559   109.82390    55.14276
   26    24 S   HC   HB22    34     1.09320   109.65544   173.70063
   27    22 S   N    _N3_    24     1.38465   113.52566    40.96679
   28    27 S   H    _HN3    25     1.01503   118.97667    -0.55567
   29    24 S   S    _SG2    35     1.83068   111.64075   -65.16333
   30    27 S   CT   _CA3    26     1.45453   123.47318   175.06116
   31    30 S   HC   HA31    27     1.09521   109.27270    23.90196
   32    30 S   HC   HA32    28     1.09496   107.11826   140.92373
   33    29 S   CT   _C9_    36     1.88153   101.85007  -161.66351
   34    30 S   CO3  _C3_    29     1.52921   113.07025   -99.59016
   35    34 S   O2Z  _O31    30     1.26404   115.39363   -44.45505
   36    34 S   O2Z  _O32    31     1.26352   114.98205   136.44710
   37    33 S   CT   _C6_    37     1.57135   105.89953  -176.10193
   38    37 S   HC   _H3_    38     1.09725   111.12037    27.79963
   39    33 S   CT   _C10   114     1.53166   108.38587   -53.51185
   40    39 S   HC   _H13   115     1.09462   112.18574    65.22455
   41    39 S   HC   _H14   116     1.09612   111.43634   -56.20378
   42    39 S   HC   _H15   117     1.09499   111.97036  -176.03528
   43    37 S   C    _C7_    39     1.52055   102.57739   -88.07799
   44    43 S   O    _O33    40     1.22176   125.64535   162.19421
   45    37 S   CT   _C5_   107     1.53930   115.82075   151.83992
   46    45 S   HC   _H10   108     1.09533   109.63723   -56.51289
   47    45 S   HC   _H11   109     1.09449   111.15756    62.24392
   48    43 S   N    _N4_    41     1.38195   108.29900   -18.87690
   49    48 S   H    _H12    42     1.01544   122.15870  -178.56714
   50    45 S   CT   _C4_   110     1.52542   113.18211  -175.54535
   51    50 S   HC   _H7_   111     1.09340   111.69404   -67.47593
   52    50 S   HC   _H8_   112     1.09498   109.92212   173.40305
   53    50 S   HC   _H9_   113     1.09451   111.12156    53.96715
   54    33 S   CT   _C8_    43     1.55357   108.78541    72.70696
   55    54 S   HC   _H4_    44     1.09496   112.12572   -25.81339
   56    54 S   CT   _C11    45     1.53470   115.99251  -150.70381
   57    56 S   HC   _H16    46     1.09415   110.92303    56.96734
   58    56 S   HC   _H17    47     1.09470   111.68208   -62.98888
   59    56 S   CD   _C12    48     1.50725   110.59516   176.84409
   60    59 S   CM   _C32    49     1.47130   122.76478   -86.98430
   61    60 S   CM   _C31    50     1.34109   101.40652   178.07603
   62    60 S   CT   _C33   103     1.47779   125.88438    -2.35044
   63    62 S   HC   _H35   104     1.09440   110.54457   -57.14633
   64    62 S   HC   _H36   105     1.09354   112.11688  -176.80359
   65    62 S   HC   _H37   106     1.09394   110.61412    62.96573
   66    61 S   CM   _C13    51     1.45447   109.79081    -0.25944
   67    61 S   CT   _C34    94     1.50053   126.44217  -178.66441
   68    67 S   HC   _H38    95     1.09712   109.93808    21.48081
   69    67 S   HC   _H39    96     1.09718   109.92508   136.36680
   70    59 S   NI   _N5_    52     1.30177   121.97820    91.06385
   71    66 S   CM   _C14    53     1.34162   127.36533  -177.95608
   72    71 S   HC   _H18    54     1.08758   119.57083    -0.41731
   73    67 S   CT   _C35    97     1.52701   112.25565  -100.11426
   74    73 S   HC   _H40    98     1.09699   110.24207   -59.61377
   75    73 S   HC   _H41    99     1.09777   109.56106    58.02087
   76    71 S   CT   _C15    55     1.50542   124.52246   179.56931
   77    76 S   HC   _H5_    56     1.09578   112.07089    15.71098
   78    73 S   CO3  _C36   100     1.53195   114.76000   179.16514
   79    78 S   O2Z  _O38   101     1.26511   114.05166  -175.42354
   80    78 S   O2Z  _O37   102     1.26132   116.67072     4.69590
   81    76 S   CM   _C16    57     1.50296   113.12247  -109.62636
   82    81 S   CM   _C17    58     1.33926   111.33692  -117.33063
   83    81 S   CT   _C28    85     1.50330   121.05382    63.89706
   84    83 S   HC   _H31    86     1.09534   110.72239  -167.87015
   85    83 S   HC   _H32    87     1.09666   109.01345   -52.70991
   86    82 S   CD   _C18    59     1.47833   102.54559    -0.48658
   87    82 S   CT   _C27    81     1.48146   131.04867  -179.25192
   88    87 S   HC   _H28    82     1.09467   110.55202   118.50758
   89    87 S   HC   _H29    83     1.09299   112.48458    -1.35552
   90    87 S   HC   _H30    84     1.09465   110.51996  -121.19058
   91    83 S   CT   _C29    88     1.52725   113.14044    68.57269
   92    91 S   HC   _H33    89     1.09702   109.15046  -174.74104
   93    91 S   HC   _H34    90     1.09614   110.82369   -57.74281
   94    76 S   NI   _N6_    60     1.48079   108.60681   134.74328
   95    86 S   CM   _C19    61     1.48902   118.31013  -179.45824
   96    95 S   HC   _H19    62     1.08188   116.11284     3.80385
   97    91 S   CO3  _C30    91     1.53044   112.62632    66.15647
   98    97 S   O2Z  _O36    92     1.26342   114.88527  -125.89822
   99    97 S   O2Z  _O35    93     1.26314   115.53014    54.76421
  100    95 S   CM   _C20    63     1.34148   123.79269  -174.70776
  101   100 S   CM   _C21    64     1.45606   128.60740   179.03653
  102   101 S   CT   _C24    65     1.52306   107.63333  -166.95836
  103   102 S   HC   _H6_    66     1.09611   110.84139  -126.37690
  104   101 S   CM   _C22    75     1.34498   130.85238    18.62165
  105   104 S   HC   _H20    76     1.08994   117.21753   178.65230
  106   102 S   C    _C25    67     1.51715   102.23289   -11.06092
  107   106 S   O    _O34    68     1.22191   125.48640  -173.67417
  108   102 S   CT   _C26    71     1.52259   113.26959   107.57585
  109   108 S   HC   _H25    72     1.09623   111.70774   -56.40056
  110   108 S   HC   _H26    73     1.09554   110.59406  -175.77265
  111   108 S   HC   _H27    74     1.09496   111.15556    64.36544
  112   104 S   CT   _C23    77     1.49279   128.93865     1.23543
  113   112 S   HC   _H21    78     1.09363   110.61929   -88.99489
  114   112 S   HC   _H22    79     1.09551   109.34476   152.38325
  115   112 S   HC   _H23    80     1.09281   112.47382    34.45631
  116   100 S   N    _N7_    69     1.36660   124.09486     2.44136
  117   116 S   H    _H24    70     1.01517   122.52258    -5.81986
  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
  20   2   1   1  19   9   9   3   2   1  10   4   8   5   4   7
   3   3   2   1   1   7   4   8   4   3  10  12  16   6   2   1
   1  11  10   5   4   3   8   4   5   4   3  11   5   2   1   1
  15  13  11   5   4  10   5   2   1   1   5   4   3   3   8   3
   2   1   1  11  16  12   8   8   4   7   3   4   2   1   1   3
   2   1   1   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    54    55    56    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    54    55    56    57    58    59    45    46    47    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    54    55    56    45    46    47    50    51    52    53    39    40    41    42  
   43    44    48    54    45    46    47    50    39  
   40    41    42    43    45    48    54    55    56  
   41    42    54  
   42    54  
   54  
   44    48    49    54    55    56    45    46    47    50  
   48    49    54    45  
   46    47    50    51    52    53    48    54  
   47    50    51    52    53  
   50    51    52    53  
   49    54    55    56    57    58    59  
   54    55    56  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    67    62    63    64    65  
   61    66    70    71    67    68    69    73    62    63    64    65  
   66    70    71    72    76    67    68    69    73    74    75    78    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    76    77    81    94    67    68    69    73  
   68    69    73    74    75    78    79    80    70    71  
   69    73    74    75    78  
   73    74    75    78  
   71    72    76  
   72    76    77    81    82    86    94    83  
   76    77    81    94  
   74    75    78    79    80  
   75    78    79    80  
   78    79    80  
   77    81    82    86    94    95    87    83    84    85    91  
   81    82    86    94    83  
   79    80  
   80  
    0  
   82    86    94    95    87    88    89    90    83    84    85    91    92    93    97  
   86    94    95    96   100    87    88    89    90    83    84    85    91  
   84    85    91    92    93    97    98    99    86    87    94  
   85    91    92    93    97  
   91    92    93    97  
   94    95    96   100   101   116    87    88    89    90  
   88    89    90    94    95  
   89    90  
   90  
    0  
   92    93    97    98    99  
   93    97    98    99  
   97    98    99  
   95    96   100  
   96   100   101   102   106   116   117   104  
  100   101   116  
   98    99  
   99  
    0  
  101   102   103   106   107   116   117   108   104   105   112  
  102   103   106   107   116   117   108   109   110   111   104   105   112   113   114   115  
  103   106   107   116   117   108   109   110   111   104   105   112  
  106   107   116   108   109   110   111   104  
  105   112   113   114   115   106   108   116  
  112   113   114   115  
  107   116   117   108   109   110   111  
  116   117   108  
  109   110   111   116  
  110   111  
  111  
    0  
  113   114   115  
  114   115  
  115  
    0  
  117  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.160200   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   95   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   490.000  1.335
   48    49   434.000  1.010
   48    54   337.000  1.449
   54    55   340.000  1.090
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   270.000  1.508
   59    60   320.000  1.464
   59    70   500.000  1.261
   60    61   549.000  1.340
   60    62   317.000  1.510
   61    66   380.000  1.444
   61    67   317.000  1.510
   66    70   405.000  1.380
   66    71   549.000  1.340
   71    72   340.000  1.080
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    81   317.000  1.510
   76    94   315.000  1.435
   81    82   549.000  1.340
   81    83   317.000  1.510
   82    86   320.000  1.464
   82    87   317.000  1.510
   86    94   500.000  1.261
   86    95   320.000  1.464
   95    96   340.000  1.080
   95   100   549.000  1.340
  100   101   380.000  1.444
  100   116   400.000  1.384
  101   102   317.000  1.510
  101   104   549.000  1.340
  102   103   340.000  1.090
  102   106   317.000  1.522
  102   108   268.000  1.529
  106   107   570.000  1.229
  106   116   490.000  1.335
  116   117   434.000  1.010
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  104   105   340.000  1.080
  104   112   317.000  1.510
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    97   317.000  1.522
   97    98   656.000  1.250
   97    99   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   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    54    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    58.35000  112.70000
   33    54    48    70.00000  110.72300
   33    54    55    37.50000  110.70000
   33    54    56    58.35000  112.70000
   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    48    70.00000  116.60000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    50    58.35000  112.70000
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  119.80000
   43    48    54    50.00000  121.90000
   48    43    44    80.00000  122.90000
   48    54    55    35.00000  109.50000
   48    54    56    70.00000  110.72300
   54    33    37    58.35000  112.70000
   54    48    49    38.00000  118.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  111.76100
   56    54    55    37.50000  110.70000
   56    59    60    65.00000  117.24000
   56    59    70    65.00000  122.10100
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  109.49600
   59    56    58    45.00000  109.49600
   59    60    61    60.00000  120.31500
   59    60    62    65.00000  117.22000
   59    70    66    75.00000  115.77100
   60    61    66    70.00000  123.01800
   60    61    67    70.00000  124.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    70    70.00000  120.83400
   61    66    71    70.00000  123.01800
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    73    70.00000  112.02700
   66    71    72    35.00000  120.00000
   66    71    76    70.00000  124.00000
   70    59    60    70.00000  121.86000
   71    66    70    70.00000  120.83400
   71    76    77    35.00000  109.50000
   71    76    81    70.00000  110.12100
   71    76    94    75.00000  110.00000
   76    71    72    35.00000  117.00000
   76    81    82    70.00000  124.00000
   76    81    83    65.00000  117.92700
   76    94    86    70.00000  113.48600
   81    76    77    35.00000  109.50000
   81    82    86    60.00000  120.31500
   81    82    87    70.00000  124.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    91    70.00000  112.02700
   82    86    94    70.00000  121.86000
   82    86    95    65.00000  123.36000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   86    95    96    40.00000  114.85300
   86    95   100    60.00000  120.31500
   94    76    77    50.00000  110.29200
   94    76    81    75.00000  110.00000
   95    86    94    70.00000  121.86000
   95   100   101    70.00000  123.01800
   95   100   116    75.00000  120.83300
  100    95    96    35.00000  120.00000
  100   101   102    70.00000  124.00000
  100   101   104    70.00000  123.01800
  100   116   106    70.00000  120.89900
  100   116   117    45.00000  117.55000
  101   102   103    35.00000  109.50000
  101   102   106    70.00000  115.00700
  101   102   108    70.00000  112.02700
  101   104   105    35.00000  120.00000
  101   104   112    70.00000  124.00000
  102   106   107    80.00000  120.40000
  102   106   116    70.00000  116.60000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  106   102   103    35.00000  109.50000
  106   116   117    35.00000  119.80000
  116   100   101    75.00000  120.83300
  116   106   107    80.00000  122.90000
  108   102   103    37.50000  110.70000
  108   102   106    63.00000  111.10000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  104   101   102    70.00000  124.00000
  104   112   113    35.00000  109.50000
  104   112   114    35.00000  109.50000
  104   112   115    35.00000  109.50000
  112   104   105    35.00000  117.00000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   87    82    86    65.00000  117.22000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    81    82    70.00000  124.00000
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    97    70.00000  109.69300
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    97    98    70.00000  117.00000
   91    97    99    70.00000  117.00000
   93    91    92    33.00000  107.80000
   97    91    92    35.00000  109.50000
   97    91    93    35.00000  109.50000
   99    97    98    80.00000  126.00000
   67    61    66    70.00000  124.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    70.00000  109.69300
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    78    79    70.00000  117.00000
   73    78    80    70.00000  117.00000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   80    78    79    80.00000  126.00000
   62    60    61    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    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
    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
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   83    91    97    98   0.41150 -1.0 2.0
   83    91    97    99   0.41150 -1.0 2.0
   84    83    91    92   0.15000  1.0 3.0
   84    83    91    93   0.15000  1.0 3.0
   84    83    91    97  -0.11250  1.0 3.0
   85    83    91    92   0.15000  1.0 3.0
   85    83    91    93   0.15000  1.0 3.0
   85    83    91    97  -0.11250  1.0 3.0
   92    91    97    98   0.00000  1.0 1.0
   92    91    97    99   0.00000  1.0 1.0
   93    91    97    98   0.00000  1.0 1.0
   93    91    97    99   0.00000  1.0 1.0
   67    61    66    70   1.08500 -1.0 2.0
   67    61    66    71  -0.18600  1.0 3.0
   67    73    78    79   0.41150 -1.0 2.0
   67    73    78    80   0.41150 -1.0 2.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    78  -0.11250  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    78  -0.11250  1.0 3.0
   74    73    78    79   0.00000  1.0 1.0
   74    73    78    80   0.00000  1.0 1.0
   75    73    78    79   0.00000  1.0 1.0
   75    73    78    80   0.00000  1.0 1.0
   62    60    61    66   7.00000 -1.0 2.0
   62    60    61    67   7.00000 -1.0 2.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   1.39750  1.0 1.0
   45    37    43    48  -0.07950 -1.0 2.0
   45    37    43    48  -0.18750  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   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   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    54    48   0.43900  1.0 1.0
   39    33    54    48   0.49100 -1.0 2.0
   39    33    54    48   0.28400  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    56   0.56750  1.0 1.0
   39    33    54    56  -0.07550 -1.0 2.0
   39    33    54    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   49    43    48    54   1.00000 -1.0 2.0
   56    60    59    70  10.50000 -1.0 2.0
   59    62    60    61   1.10000 -1.0 2.0
   66    67    61    60   1.10000 -1.0 2.0
   61    70    66    71   1.10000 -1.0 2.0
   76    72    71    66   1.10000 -1.0 2.0
   76    83    81    82   1.10000 -1.0 2.0
   86    87    82    81   1.10000 -1.0 2.0
   82    95    86    94  10.50000 -1.0 2.0
   86    96    95   100   1.10000 -1.0 2.0
  101   116   100    95   1.10000 -1.0 2.0
  100   102   101   104   1.10000 -1.0 2.0
  102   116   106   107  10.50000 -1.0 2.0
  117   106   116   100   1.00000 -1.0 2.0
  112   105   104   101   1.10000 -1.0 2.0
   98    91    97    99  10.50000 -1.0 2.0
   79    73    78    80  10.50000 -1.0 2.0
END
