* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    197    317     592
    1     0 S   NP   _N1_     1    28.55625    95.70599   -22.19031
    2     1 S   H    _HN1     2     1.02959    79.09086    33.09171
    3     1 S   H    _H1_     3     1.02836    36.79706   172.20278
    4     1 S   H    _H2_     4     1.02778    95.19059   -74.61020
    5     1 S   CT   _CA1     5     1.50116   144.90987   143.13946
    6     5 S   HC   _HA1     6     1.09576   105.23107    77.30954
    7     5 S   CO3  _C1_     7     1.53780   112.40632   -42.89828
    8     7 S   O2Z  _O11     8     1.26357   115.00484   -43.68007
    9     7 S   O2Z  _O12     9     1.26239   114.91961   135.51712
   10     5 S   CT   _CB1    10     1.53095   107.42833  -164.78487
   11    10 S   HC   HB11    11     1.09825   109.31246   -50.91618
   12    10 S   HC   HB12    12     1.09819   110.42109    65.62600
   13    10 S   CT   _CG1    13     1.53010   112.68443  -172.02528
   14    13 S   HC   HG11    14     1.09595   110.45203   -64.18689
   15    13 S   HC   HG12    15     1.09654   109.97115    55.03742
   16    13 S   C    _CD1    16     1.51815   112.32556   175.37903
   17    16 S   O    _OE1    17     1.22724   123.26810    -1.44807
   18    16 S   N    _N2_    18     1.38642   111.63924   178.75841
   19    18 S   H    _HN2    19     1.01586   119.03349     1.08209
   20    18 S   CT1  _CA2    20     1.46165   123.35144   179.57022
   21    20 S   HC   _HA2    21     1.09743   109.37125    -6.85569
   22    20 S   C    _C2_    22     1.53467   108.50363  -122.39490
   23    22 S   O    _O2_    23     1.23026   122.17433  -146.31209
   24    20 S   CT   _CB2    32     1.53367   111.59618   115.12339
   25    24 S   HC   HB21    33     1.09514   110.09113    56.06901
   26    24 S   HC   HB22    34     1.09525   110.03949   175.04481
   27    22 S   N    _N3_    24     1.38484   113.45935    41.12230
   28    27 S   H    _HN3    25     1.01511   118.94276    -0.77808
   29    24 S   S    _SG2    35     1.82804   111.68215   -65.38726
   30    27 S   CT   _CA3    26     1.45460   123.54461   174.94042
   31    30 S   HC   HA31    27     1.09514   109.35901    22.10529
   32    30 S   HC   HA32    28     1.09498   107.09662   139.14752
   33    29 S   CT   _C19    36     1.85142    99.63329  -179.31386
   34    33 S   HC   _H3_    37     1.09747   107.16950    27.29974
   35    30 S   CO3  _C3_    29     1.52924   113.01332  -101.44192
   36    35 S   O2Z  _O31    30     1.26413   115.37522   -44.72527
   37    35 S   O2Z  _O32    31     1.26349   114.99805   136.16563
   38    33 S   CT   _C11    38     1.53218   104.82469   -87.07173
   39    38 S   HC   _H39    39     1.09678   110.90562    57.48478
   40    38 S   HC   _H40    40     1.09654   112.48890   -63.59136
   41    38 S   CO4  _C6_    41     1.50052   110.41426   175.73966
   42    41 S   O    _O26    42     1.22853   122.30771  -142.84879
   43    41 S   CM   _C4_    43     1.47254   117.47334    41.67177
   44    43 S   HC   _H36    44     1.08486   116.33933   165.52531
   45    43 S   CM   _C5_    45     1.34281   121.27824   -11.06794
   46    45 S   CT   _C10    46     1.51036   117.98853   174.00416
   47    46 S   HC   _H37    47     1.09618   109.59191  -112.60978
   48    46 S   HC   _H38    48     1.09732   111.44259     4.05019
   49    46 S   CT   _C12    49     1.51665   111.46210   125.39118
   50    49 S   HC   _H41    50     1.09632   108.41953   176.51446
   51    49 S   HC   _H42    51     1.09795   109.53955   -67.46376
   52    49 S   CT   _C15    52     1.53541   111.70392    54.89999
   53    52 S   HC   _H47    53     1.09458   107.61267    63.65518
   54    52 S   CT   _C16    54     1.53933   109.51048  -177.47912
   55    54 S   HC   _H48    55     1.10230   105.90849    62.47107
   56    52 S   CT   _C23    68     1.56865   110.84962   -56.08281
   57    56 S   F    _F34    69     1.38772   105.23791   -58.85665
   58    54 S   CT   _C13    56     1.52970   118.50909   -55.72965
   59    58 S   HC   _H43    57     1.09622   110.49338   -40.42688
   60    58 S   HC   _H44    58     1.09492   111.45035    79.52679
   61    33 S   CT   _C20    70     1.59037   116.23364   147.47571
   62    58 S   CT   _C17    59     1.54612   104.74214  -158.55642
   63    62 S   HC   _H49    60     1.09758   109.22384   121.18438
   64    61 S   CT   _C26    71     1.54968   111.26814    45.25297
   65    64 S   HC   _H58    72     1.09124   113.51757   -56.15346
   66    64 S   HC   _H59    73     1.09424   112.43264  -176.68306
   67    64 S   HC   _H60    74     1.09688   111.02023    63.82248
   68    62 S   CT   _C21    61     1.55870   106.22072     2.20487
   69    62 S   OS   _O34    95     1.43801   111.24430  -118.38625
   70    54 S   CT   _C22    62     1.54570   113.95042  -178.51220
   71    68 S   CO4  _C7_    81     1.53470   113.57446   152.66015
   72    71 S   O    _O27    82     1.23223   121.39154  -141.55012
   73    68 S   OH   _O33    93     1.43038   109.13257   -91.10878
   74    73 S   HO   _H67    94     0.97246   108.38075  -179.67135
   75    69 S   CO4  _C8_    96     1.36270   116.83615   -78.20077
   76    75 S   O    _O28    97     1.22314   126.32169     0.38664
   77    70 S   CT   _C14    63     1.54057   106.47413   -61.06879
   78    77 S   HC   _H45    64     1.09647   110.23459   -64.22536
   79    77 S   HC   _H46    65     1.09656   109.58428   178.64795
   80    70 S   CT   _C27    77     1.55471   113.01460    60.60934
   81    80 S   HC   _H61    78     1.09392   112.90277    71.15399
   82    80 S   HC   _H62    79     1.09157   113.17594   -49.11622
   83    80 S   HC   _H63    80     1.09519   110.92190  -168.99905
   84    71 S   CT   _C28    83     1.52158   117.32443    42.62564
   85    84 S   HC   _H64    84     1.09457   108.82125    53.48935
   86    84 S   HC   _H65    85     1.09372   109.09105   -68.21452
   87    75 S   CT   _C24    98     1.49814   109.50901  -179.50544
   88    87 S   HC   _H52    99     1.09289   109.83058   -60.84752
   89    87 S   HC   _H53   100     1.09377   109.36563  -179.90109
   90    87 S   HC   _H54   101     1.09295   109.80246    61.05364
   91    77 S   CT   _C18    66     1.54598   113.34343    55.74639
   92    91 S   HC   _H50    67     1.09343   105.01226  -170.85533
   93    84 S   OS   _O35    86     1.42929   108.99694   172.66420
   94    91 S   OH   _O30    75     1.41853   109.47475    73.84871
   95    94 S   HO   _H66    76     0.97263   107.78934    59.54565
   96    93 S   CO4  _C9_    87     1.36269   115.16937  -179.90309
   97    96 S   O    _O29    88     1.22342   126.18095    -0.01978
   98    96 S   CT   _C25    89     1.49831   109.63557  -179.98022
   99    98 S   HC   _H55    90     1.09289   109.83576   -60.89917
  100    98 S   HC   _H56    91     1.09380   109.35640  -179.94065
  101    98 S   HC   _H57    92     1.09289   109.83358    61.01792
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  12   6   5   8  14   6   4
   2   1   1  19   9  15  10   5   4   1   5   4  10   5   4   4
   2   1   1   6   3   2   3   2   1   1   3   2   6   1   1   5
   4   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    91    56    57    61    64    65    66    67  
   38    39    40    41    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    64  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    64  
   45    46    61  
   46    47    48    49    50    51    52    91    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    70    91    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    70    77    91    92    56    57    61    64    94    80  
   54    55    58    70    91    56    57    61  
   55    58    59    60    62    63    68    70    77    78    79    91    56    57    61    80    81    82    83    71    73    69  
   58    59    60    62    68    70    77    56    80  
   57    61    64    65    66    67    94    95    58    70    77    78    79    91    92  
   61    64    94    77    91    92  
   59    60    62    63    68    70    77    80    71    73    69    75  
   60    62    63    68    70    69  
   62    63    68    70    69  
   64    65    66    67    94    77    91    92  
   63    68    70    77    80    71    72    84    73    74    69    75    76    87  
   68    70    71    73    69    75  
   65    66    67    91  
   66    67  
   67  
    0  
   70    77    78    79    91    80    81    82    83    71    72    84    85    86    93    73    74    69    75  
   75    76    87    88    89    90    70    71    73  
   77    78    79    91    92    94    80    81    82    83    71    72    84    73    74  
   72    84    85    86    93    96    73    74    77    80  
   84    85    86    93    73  
   74    77    80    84  
    0  
   76    87    88    89    90  
   87    88    89    90  
   78    79    91    92    94    95    80    81    82    83  
   79    91    92    94    80  
   91    92    94    80  
   81    82    83    91  
   82    83  
   83  
    0  
   85    86    93    96    97    98  
   86    93    96  
   93    96  
   88    89    90  
   89    90  
   90  
    0  
   92    94    95  
   94    95  
   96    97    98    99   100   101  
   95  
    0  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    70   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   320.000  1.410
   68    70   268.000  1.529
   68    71   317.000  1.522
   68    73   320.000  1.410
   70    77   268.000  1.529
   70    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    91   268.000  1.529
   91    92   340.000  1.090
   91    56   268.000  1.529
   91    94   320.000  1.410
   56    57   367.000  1.332
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   94    95   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   71    72   570.000  1.229
   71    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   320.000  1.410
   93    96   214.000  1.327
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   73    74   553.000  0.945
   69    75   214.000  1.327
   75    76   570.000  1.229
   75    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   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    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    70    58.35000  112.70000
   52    56    91    58.35000  112.70000
   52    56    57    50.00000  109.50000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    70    68    58.35000  112.70000
   54    70    77    58.35000  112.70000
   54    70    80    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    69    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    70    58.35000  112.70000
   62    68    71    63.00000  111.10000
   62    68    73    50.00000  109.50000
   62    69    75    83.00000  116.90000
   68    62    63    37.50000  110.70000
   68    70    77    58.35000  112.70000
   68    70    80    58.35000  112.70000
   68    71    72    80.00000  120.40000
   68    71    84    70.00000  116.00000
   68    73    74    55.00000  108.50000
   70    54    55    37.50000  110.70000
   70    54    58    58.35000  112.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    91    58.35000  112.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    37.50000  110.70000
   77    91    92    37.50000  110.70000
   77    91    56    58.35000  112.70000
   77    91    94    50.00000  109.50000
   79    77    78    33.00000  107.80000
   91    77    78    37.50000  110.70000
   91    77    79    37.50000  110.70000
   91    56    57    50.00000  109.50000
   91    56    61    58.35000  112.70000
   91    94    95    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    91    92    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    56    50.00000  109.50000
   80    70    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   71    68    70    63.00000  111.10000
   71    84    85    35.00000  109.50000
   71    84    86    35.00000  109.50000
   71    84    93    90.00000  108.74100
   84    71    72    80.00000  120.40000
   84    93    96    83.00000  116.90000
   86    84    85    33.00000  107.80000
   93    84    85    35.00000  109.50000
   93    84    86    35.00000  109.50000
   93    96    97    83.00000  123.40000
   93    96    98    81.00000  111.40000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   98    96    97    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   73    68    70    50.00000  109.50000
   73    68    71    90.00000  109.61100
   69    62    63    35.00000  109.50000
   69    62    68    50.00000  109.50000
   69    75    76    83.00000  123.40000
   69    75    87    81.00000  111.40000
   75    87    88    35.00000  109.50000
   75    87    89    35.00000  109.50000
   75    87    90    35.00000  109.50000
   87    75    76    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    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
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   71    68    73    74   0.57950  1.0 3.0
   71    84    93    96  -1.80650  1.0 1.0
   71    84    93    96   0.63900 -1.0 2.0
   71    84    93    96   0.03650  1.0 3.0
   72    71    84    85   0.00000  1.0 1.0
   72    71    84    86   0.00000  1.0 1.0
   72    71    84    93   0.30150 -1.0 2.0
   84    93    96    97   3.00000 -1.0 2.0
   84    93    96    98   1.63150  1.0 1.0
   84    93    96    98   2.92000 -1.0 2.0
   85    84    93    96   0.08050  1.0 3.0
   86    84    93    96   0.08050  1.0 3.0
   93    96    98    99   0.00000  1.0 1.0
   93    96    98   100   0.00000  1.0 1.0
   93    96    98   101   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   73    68    70    54   0.86500  1.0 1.0
   73    68    70    54  -0.17500 -1.0 2.0
   73    68    70    54   0.20800  1.0 3.0
   73    68    70    77   0.86500  1.0 1.0
   73    68    70    77  -0.17500 -1.0 2.0
   73    68    70    77   0.20800  1.0 3.0
   73    68    70    80   0.86500  1.0 1.0
   73    68    70    80  -0.17500 -1.0 2.0
   73    68    70    80   0.20800  1.0 3.0
   73    68    71    72   0.30150 -1.0 2.0
   73    68    71    84   0.55300  1.0 1.0
   73    68    71    84   1.25850 -1.0 2.0
   73    68    71    84  -0.23600  1.0 3.0
   69    62    68    70   0.62750  1.0 1.0
   69    62    68    70  -0.30950 -1.0 2.0
   69    62    68    70   0.27300  1.0 3.0
   69    62    68    71  -0.09450  1.0 1.0
   69    62    68    71  -1.12950 -1.0 2.0
   69    62    68    71   0.54000  1.0 3.0
   69    62    68    73   3.69350  1.0 1.0
   69    62    68    73  -1.82950 -1.0 2.0
   69    75    87    88   0.00000  1.0 1.0
   69    75    87    89   0.00000  1.0 1.0
   69    75    87    90   0.00000  1.0 1.0
   76    75    87    88   0.00000  1.0 1.0
   76    75    87    89   0.00000  1.0 1.0
   76    75    87    90   0.00000  1.0 1.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   68    84    71    72  10.50000 -1.0 2.0
   93    98    96    97  10.50000 -1.0 2.0
   69    87    75    76  10.50000 -1.0 2.0
END
