* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    196    328     593
    1     0 S   NP   _N1_     1    28.79208    92.37025   -20.14889
    2     1 S   H    _HN1     2     1.02830    15.08919   179.72732
    3     1 S   H    _H1_     3     1.02772    99.11198   -53.04014
    4     1 S   H    _H2_     4     1.02948    99.23475    57.44584
    5     1 S   CT   _CA1     5     1.50207   125.79063  -179.13929
    6     5 S   HC   _HA1     6     1.09606   105.01653    58.59251
    7     5 S   CO3  _C1_     7     1.53738   112.60255   -60.78343
    8     7 S   O2Z  _O11     8     1.26329   115.03608   -37.47759
    9     7 S   O2Z  _O12     9     1.26249   114.91742   141.28983
   10     5 S   CT   _CB1    10     1.53116   107.27486   175.90237
   11    10 S   HC   HB11    11     1.09782   108.65172   -53.76900
   12    10 S   HC   HB12    12     1.09753   110.59469    62.45495
   13    10 S   CT   _CG1    13     1.52941   112.94680  -175.42234
   14    13 S   HC   HG11    14     1.09526   109.88471   -71.72407
   15    13 S   HC   HG12    15     1.09666   110.22113    47.08616
   16    13 S   C    _CD1    16     1.51940   112.67910   166.56346
   17    16 S   O    _OE1    17     1.22733   123.13356   -16.84053
   18    16 S   N    _N2_    18     1.38533   111.72317   165.55681
   19    18 S   H    _HN2    19     1.01594   118.77998    -3.31499
   20    18 S   CT1  _CA2    20     1.46381   123.80382   176.43921
   21    20 S   HC   _HA2    21     1.09742   109.22121   -20.37274
   22    20 S   C    _C2_    22     1.53559   107.51294  -135.57034
   23    22 S   O    _O2_    23     1.22986   122.54498  -144.84015
   24    20 S   CT   _CB2    32     1.53432   111.66509   102.39945
   25    24 S   HC   HB21    33     1.09494   109.27105    48.36967
   26    24 S   HC   HB22    34     1.09414   110.75967   167.16247
   27    22 S   N    _N3_    24     1.38610   113.19960    42.45475
   28    27 S   H    _HN3    25     1.01534   118.85955    -0.43205
   29    24 S   S    _SG2    35     1.82908   111.59817   -73.51066
   30    27 S   CT   _CA3    26     1.45432   123.44418   175.34062
   31    30 S   HC   HA31    27     1.09525   109.19538    24.89337
   32    30 S   HC   HA32    28     1.09495   107.11460   141.88326
   33    29 S   CT   _C18    36     1.89565   100.18211   156.71393
   34    33 S   HC   _H8_    37     1.09458   102.85979   -14.75384
   35    30 S   CO3  _C3_    29     1.52926   113.21319   -98.56819
   36    35 S   O2Z  _O31    30     1.26398   115.46933   -43.00613
   37    35 S   O2Z  _O32    31     1.26366   114.94451   137.98523
   38    33 S   CT   _C9_    38     1.59316   111.88399  -129.37840
   39    38 S   HC   _H5_    39     1.09368   107.02678   -98.14817
   40    33 S   CT   _C17    59     1.60411   112.69462   101.23696
   41    40 S   OM   _O35    60     1.33377   108.70505   -45.17316
   42    38 S   CT   _C8_    40     1.55572   115.27992    20.07750
   43    42 S   HC   _H4_    41     1.09279   111.29520   -61.91209
   44    40 S   CT   _C19    61     1.56685   113.85264    72.63022
   45    44 S   HC   _H15    62     1.09809   112.31539  -167.63388
   46    44 S   HC   _H16    63     1.09143   111.81583    73.27857
   47    42 S   CT   _C7_    42     1.55164   114.08282   169.73990
   48    44 S   OH   _O34    64     1.42471   113.37206   -46.70387
   49    48 S   HO   _H17    65     0.97402   105.96397   -41.68957
   50    42 S   OS   _O39    87     1.43031   105.96846    57.95867
   51    47 S   CT   _C6_    43     1.53116   111.43635    19.72900
   52    51 S   HC   _H12    44     1.09758   110.43658   176.96281
   53    51 S   HC   _H13    45     1.09807   109.87387    60.55938
   54    47 S   OS   _O40    88     1.44673   104.12034   -93.15066
   55    47 S   CM   _C28    93     1.52802   112.82247   147.23216
   56    51 S   CT   _C5_    46     1.55428   111.83760   -60.20122
   57    56 S   HC   _H3_    47     1.09228   104.42886   149.91987
   58    55 S   CM   _C29    94     1.34428   123.42314   111.38846
   59    58 S   HC   _H28    95     1.08511   121.45550   179.59944
   60    58 S   HC   _H29    96     1.08414   122.17326    -0.33043
   61    55 S   CT   _C30    97     1.50832   117.25197   -69.25376
   62    61 S   HC   _H30    98     1.09429   110.61818   -65.23568
   63    61 S   HC   _H31    99     1.09360   111.19179    55.47274
   64    61 S   HC   _H32   100     1.09569   112.02322   175.22078
   65    38 S   CT   _C10    48     1.58298   114.26366   142.13749
   66    56 S   CT   _C4_    89     1.53944   109.68191   -97.69037
   67    66 S   HC   _H9_    90     1.09266   113.03574    75.76822
   68    66 S   HC   _H10    91     1.09608   110.68758   -44.76595
   69    66 S   HC   _H11    92     1.09121   111.68578  -162.07201
   70    65 S   CT   _C11    49     1.55575   111.63844    34.28245
   71    70 S   HC   _H6_    50     1.10119   106.65509   -72.98122
   72    65 S   OS   _O38    74     1.46194   108.58743   -79.10452
   73    70 S   CM   _C12    51     1.50567   117.59060   174.82422
   74    73 S   HC   _H14    52     1.08327   121.79175    43.51097
   75    72 S   CO   _C21    75     1.43957   115.65137   -44.39583
   76    73 S   CM   _C13    53     1.33442   115.32284  -142.54198
   77    75 S   CA   _C22    76     1.51220   108.14308   176.08248
   78    76 S   CO4  _C14    54     1.47423   105.80978     2.40086
   79    78 S   O    _O33    55     1.22271   122.24814  -177.03337
   80    76 S   CT   _C20    70     1.47784   130.14153  -176.25702
   81    80 S   HC   _H20    71     1.09444   110.57015   119.70964
   82    80 S   HC   _H21    72     1.09477   111.40971    -0.30261
   83    80 S   HC   _H22    73     1.09443   110.47976  -120.24653
   84    77 S   CA   _C23    77     1.40669   119.42352   -59.93715
   85    84 S   HA   _H23    78     1.08765   120.04785     0.60263
   86    70 S   CT   _C15    56     1.54475   117.75888    49.12560
   87    84 S   CA   _C24    79     1.39543   120.98819  -179.12777
   88    87 S   HA   _H24    80     1.08606   120.00367   179.67434
   89    86 S   CT   _C16    57     1.53875   111.14858   -94.46934
   90    89 S   HC   _H7_    58     1.10180   106.96622   -56.54166
   91    86 S   OH   _O37    68     1.41740   114.55748    31.98216
   92    91 S   HO   _H19    69     0.97175   109.07536    70.53785
   93    87 S   CA   _C25    81     1.39182   119.92337    -0.19180
   94    93 S   HA   _H25    82     1.08597   120.13442   179.65565
   95    89 S   OH   _O36    66     1.44114   108.05097  -169.33229
   96    95 S   HO   _H18    67     0.97398   105.77675  -179.32391
   97    93 S   CA   _C26    83     1.39289   119.85989    -0.13848
   98    97 S   HA   _H26    84     1.08646   119.94385   179.54115
   99    77 S   CA   _C27    85     1.40169   122.28314   120.49591
  100    99 S   HA   _H27    86     1.08688   120.95311    -0.22814
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  21   8   2   1   1  22   9  16   8  16   7   8   4   3  20   2
   1   9  16   7   6  10   9  12   7   6   2   1   3   2   1   1
  16   5   2   1   1  15   8   6  11   4   7   9   9  11   4   4
   2   1   1   8   4   6   6   3   5   3   2   1   5   3   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    65    89    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    56    65    70    86    89    90    40    41    44    45    46    48    95    72    50  
   38    39    42    65    89    40    41    44  
   36    37  
   37  
    0  
   39    42    43    47    51    56    57    65    70    71    73    86    89    40    41    44    72    75    50    54    66    55  
   42    43    47    56    65    70    40    72    50  
   41    44    45    46    48    49    95    96    91    42    65    70    78    86    89    90  
   44    45    46    48    95    86    89    90  
   43    47    51    52    53    56    65    70    72    75    77    50    54    55    58    61  
   47    51    65    75    50    54    55  
   45    46    48    49    95    86    89    90  
   46    48    49    89  
   48    49    89  
   51    52    53    56    57    65    72    75    77    50    54    66    55    58    59    60    61    62    63    64  
   49    89  
    0  
   54    55    51    65    72    75    77    84    99  
   52    53    56    57    65    70    72    75    54    66    67    68    69    55    58    61  
   53    56    57    65    54    66    55  
   56    57    65    54    66    55  
   55    58    61    56    65    72    75    77    84    99  
   58    59    60    61    62    63    64    56    75  
   57    65    70    71    73    86    72    75    66    67    68    69  
   65    70    72    66    67    68    69  
   59    60    61    62    63    64  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   70    71    73    74    76    78    86    89    91    72    75    77    66    67    68    69  
   67    68    69    70    72  
   68    69  
   69  
    0  
   71    73    74    76    78    79    86    89    90    95    91    92    80    72    75  
   73    74    76    78    86    89    91    72  
   75    77    84    99    73    86  
   74    76    78    79    86    89    91    80    81    82    83  
   76    78    86    80  
   77    84    85    87    97    99   100  
   78    79    86    89    91    80    81    82    83  
   84    85    87    88    93    97    98    99   100  
   79    86    89    90    95    91    92    80    81    82    83  
   86    89    91    80  
   81    82    83    86  
   82    83  
   83  
    0  
   85    87    88    93    94    97    99   100  
   87    88    93    99  
   89    90    95    96    91    92  
   88    93    94    97    98    99  
   93    94    97  
   90    95    96    91    92  
   95    96    91  
   92    95  
    0  
   94    97    98    99   100  
   97    98    99  
   96  
    0  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    65   268.000  1.529
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    50   320.000  1.410
   47    51   268.000  1.529
   47    54   320.000  1.410
   47    55   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    65   268.000  1.529
   56    66   268.000  1.529
   65    70   268.000  1.529
   65    72   320.000  1.410
   70    71   340.000  1.090
   70    73   317.000  1.510
   70    86   268.000  1.529
   73    74   340.000  1.080
   73    76   549.000  1.340
   76    78   320.000  1.462
   76    80   317.000  1.510
   78    79   570.000  1.229
   78    86   317.000  1.522
   86    89   268.000  1.529
   86    91   320.000  1.410
   89    90   340.000  1.090
   89    40   268.000  1.529
   89    95   320.000  1.410
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   320.000  1.410
   48    49   553.000  0.945
   95    96   553.000  0.945
   91    92   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   72    75   320.000  1.380
   75    77   270.000  1.504
   75    50   320.000  1.380
   75    54   320.000  1.380
   77    84   469.000  1.400
   77    99   469.000  1.400
   84    85   367.000  1.080
   84    87   469.000  1.400
   87    88   367.000  1.080
   87    93   469.000  1.400
   93    94   367.000  1.080
   93    97   469.000  1.400
   97    98   367.000  1.080
   97    99   469.000  1.400
   99   100   367.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   55    58   549.000  1.340
   55    61   317.000  1.510
   58    59   340.000  1.080
   58    60   340.000  1.080
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    65    58.35000  112.70000
   33    40    89    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    42    50    50.00000  109.50000
   38    65    56    58.35000  112.70000
   38    65    70    58.35000  112.70000
   38    65    72    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    47    51    58.35000  112.70000
   42    47    54    50.00000  109.50000
   42    47    55    70.00000  112.02700
   42    50    75    60.00000  109.50000
   47    42    43    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    56    58.35000  112.70000
   47    54    75    60.00000  109.50000
   47    55    58    70.00000  124.00000
   47    55    61    65.00000  117.92700
   51    56    57    37.50000  110.70000
   51    56    65    58.35000  112.70000
   51    56    66    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    65    70    58.35000  112.70000
   56    65    72    50.00000  109.50000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   65    38    39    37.50000  110.70000
   65    38    42    58.35000  112.70000
   65    56    57    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    73    70.00000  112.02700
   65    70    86    58.35000  112.70000
   65    72    75    60.00000  109.50000
   70    73    74    35.00000  117.00000
   70    73    76    70.00000  124.00000
   70    86    78    63.00000  111.10000
   70    86    89    58.35000  112.70000
   70    86    91    50.00000  109.50000
   73    70    71    35.00000  109.50000
   73    76    78    65.00000  118.96000
   73    76    80    70.00000  124.00000
   76    73    74    35.00000  120.00000
   76    78    79    80.00000  123.72100
   76    78    86    65.00000  118.62400
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   78    86    89    63.00000  111.10000
   78    86    91    90.00000  109.61100
   86    70    71    37.50000  110.70000
   86    70    73    70.00000  112.02700
   86    78    79    80.00000  120.40000
   86    89    90    37.50000  110.70000
   86    89    40    58.35000  112.70000
   86    89    95    50.00000  109.50000
   86    91    92    55.00000  108.50000
   89    40    41    50.00000  109.50000
   89    40    44    58.35000  112.70000
   89    95    96    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    89    90    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    50.00000  109.50000
   44    40    41    50.00000  109.50000
   44    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   95    89    90    35.00000  109.50000
   95    89    40    50.00000  109.50000
   91    86    89    50.00000  109.50000
   80    76    78    65.00000  116.34900
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   72    65    70    50.00000  109.50000
   72    75    77    90.00000  107.97000
   72    75    50    92.60000  111.55000
   72    75    54    92.60000  111.55000
   75    77    84    60.00000  120.68000
   75    77    99    60.00000  120.68000
   77    84    85    35.00000  120.00000
   77    84    87    63.00000  120.00000
   77    99    97    63.00000  120.00000
   77    99   100    35.00000  120.00000
   84    87    88    35.00000  120.00000
   84    87    93    63.00000  120.00000
   87    84    85    35.00000  120.00000
   87    93    94    35.00000  120.00000
   87    93    97    63.00000  120.00000
   93    87    88    35.00000  120.00000
   93    97    98    35.00000  120.00000
   93    97    99    63.00000  120.00000
   97    93    94    35.00000  120.00000
   97    99   100    35.00000  120.00000
   99    77    84    63.00000  120.00000
   99    97    98    35.00000  120.00000
   50    42    43    35.00000  109.50000
   50    42    47    50.00000  109.50000
   50    75    77    90.00000  107.97000
   54    47    51    50.00000  109.50000
   54    75    77    90.00000  107.97000
   54    75    50    92.60000  111.55000
   66    56    57    37.50000  110.70000
   66    56    65    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   55    47    51    70.00000  112.02700
   55    47    54    85.00000  110.90400
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    35.00000  109.50000
   60    58    59    35.00000  117.00000
   61    55    58    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
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   84    87    93    94   3.62500 -1.0 2.0
   84    87   -93    97   3.62500 -1.0 2.0
   85    84    87    88   3.62500 -1.0 2.0
   85    84    87    93   3.62500 -1.0 2.0
   87    93    97    98   3.62500 -1.0 2.0
   87    93    97    99   3.62500 -1.0 2.0
   88    87    93    94   3.62500 -1.0 2.0
   88    87    93    97   3.62500 -1.0 2.0
   93    97   -99    77   3.62500 -1.0 2.0
   93    97    99   100   3.62500 -1.0 2.0
   94    93    97    98   3.62500 -1.0 2.0
   94    93    97    99   3.62500 -1.0 2.0
   98    97    99    77   3.62500 -1.0 2.0
   98    97    99   100   3.62500 -1.0 2.0
   99    77    84    85   3.62500 -1.0 2.0
   99    77   -84    87   3.62500 -1.0 2.0
   50    42    47    51   0.62750  1.0 1.0
   50    42    47    51  -0.30950 -1.0 2.0
   50    42    47    51   0.27300  1.0 3.0
   50    42   -47    54   1.11900  1.0 1.0
   50    42   -47    54  -1.16350 -1.0 2.0
   50    42   -47    54  -0.34150  1.0 3.0
   50    42    47    55   0.61850  1.0 1.0
   50    42    47    55  -0.22750 -1.0 2.0
   50    42    47    55   0.15300  1.0 3.0
   50    75    77    84   0.64500  1.0 1.0
   50    75    77    84   0.14800 -1.0 2.0
   50    75    77    84   0.20650  1.0 3.0
   50    75    77    99   0.64500  1.0 1.0
   50    75    77    99   0.14800 -1.0 2.0
   50    75    77    99   0.20650  1.0 3.0
   50    75   -54    47  -0.53350  1.0 1.0
   50    75   -54    47  -0.78350 -1.0 2.0
   50    75   -54    47   0.33750  1.0 3.0
   54    47    51    52   0.23400  1.0 3.0
   54    47    51    53   0.23400  1.0 3.0
   54    47    51    56   0.62750  1.0 1.0
   54    47    51    56  -0.30950 -1.0 2.0
   54    47    51    56   0.27300  1.0 3.0
   54    47    55    58   0.39000  1.0 1.0
   54    47    55    58  -0.05800 -1.0 2.0
   54    47    55    58  -0.55150  1.0 3.0
   54    47    55    61   0.09700  1.0 1.0
   54    47    55    61   0.15600 -1.0 2.0
   54    47    55    61  -0.50800  1.0 3.0
   54    75    77    84   0.64500  1.0 1.0
   54    75    77    84   0.14800 -1.0 2.0
   54    75    77    84   0.20650  1.0 3.0
   54    75    77    99   0.64500  1.0 1.0
   54    75    77    99   0.14800 -1.0 2.0
   54    75    77    99   0.20650  1.0 3.0
   54    75   -50    42  -0.53350  1.0 1.0
   54    75   -50    42  -0.78350 -1.0 2.0
   54    75   -50    42   0.33750  1.0 3.0
   66    56    65    38   0.56750  1.0 1.0
   66    56    65    38  -0.07550 -1.0 2.0
   66    56    65    38   0.20000  1.0 3.0
   66    56    65    70   0.56750  1.0 1.0
   66    56    65    70  -0.07550 -1.0 2.0
   66    56    65    70   0.20000  1.0 3.0
   66    56    65    72   0.62750  1.0 1.0
   66    56    65    72  -0.30950 -1.0 2.0
   66    56    65    72   0.27300  1.0 3.0
   55    47    51    52   0.15000  1.0 3.0
   55    47    51    53   0.15000  1.0 3.0
   55    47    51    56   0.34400  1.0 1.0
   55    47    51    56   0.09450 -1.0 2.0
   55    47    51    56   0.11100  1.0 3.0
   55    47    54    75  -0.77900  1.0 1.0
   55    47    54    75  -0.36900 -1.0 2.0
   55    47    54    75   0.40400  1.0 3.0
   58    55    61    62   0.00000  1.0 1.0
   58    55    61    63   0.00000  1.0 1.0
   58    55    61    64   0.00000  1.0 1.0
   61    55    58    59   7.00000 -1.0 2.0
   61    55    58    60   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   70    74    73    76   1.10000 -1.0 2.0
   78    80    76    73   1.10000 -1.0 2.0
   76    86    78    79  10.50000 -1.0 2.0
   84    99    77    75   4.00000 -1.0 2.0
   87    85    84    77   1.10000 -1.0 2.0
   93    88    87    84   1.10000 -1.0 2.0
   97    94    93    87   1.10000 -1.0 2.0
   99    98    97    93   1.10000 -1.0 2.0
   97   100    99    77   1.10000 -1.0 2.0
   47    61    55    58  15.00000 -1.0 2.0
   59    60    58    55  15.00000 -1.0 2.0
END
