* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    218    343     648
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039   103.90014     8.22602
    3     1 S   H    _H1_     3     1.02101    43.21265   110.88914
    4     1 S   H    _H2_     4     1.02119    70.00761   -96.93331
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.85211    97.22205   161.84764
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C19    37     1.53972   108.29354   -79.99196
   38    37 S   HC   _H50    38     1.11292   110.54901    45.15327
   39    33 S   OH   _O42   116     1.43324   108.44737    37.32985
   40    39 S   HO   _H83   117     0.96826   106.22172   -57.32250
   41    37 S   CO4  _C13    39     1.51930   111.24160   -72.29587
   42    41 S   O    _O36    40     1.23425   119.98098   134.54548
   43    37 S   C    _C14   111     1.50409   112.71182   161.80537
   44    43 S   O    _O37   112     1.22835   122.12409    29.83103
   45    41 S   CT   _C22    41     1.53675   118.30894   -49.41066
   46    43 S   N    _N30   113     1.37543   113.78434  -149.30610
   47    46 S   H    _H76   114     1.01438   118.65841     0.06853
   48    46 S   H    _H77   115     1.01487   122.59920   179.94405
   49    45 S   CM   _C12    42     1.51456   111.41512   -80.67187
   50    45 S   CT   _C20    94     1.55257   110.80451    46.63527
   51    50 S   HC   _H51    95     1.09748   107.62912    70.69619
   52    45 S   OH   _O41   109     1.43187   105.77905   164.67921
   53    52 S   HO   _H82   110     0.96931   106.48729    58.39430
   54    49 S   CM   _C11    43     1.34709   122.10807   146.67285
   55    33 S   CT   _C21    96     1.55298   112.27200   156.84970
   56    55 S   HC   _H52    97     1.09220   108.26961  -175.06577
   57    49 S   OH   _O40   107     1.38538   116.77697   -33.78741
   58    57 S   HO   _H81   108     0.96051   109.55152  -179.57067
   59    54 S   CO4  _C10    44     1.49785   120.95724  -177.79229
   60    59 S   O    _O35    45     1.22403   122.94763   -23.63414
   61    55 S   NTH0 _N34    98     1.47108   110.20746   -58.69057
   62    59 S   CA   _C5_    46     1.48760   116.55075   156.76309
   63    61 S   CT   _C29    99     1.45880   110.07709    85.75718
   64    63 S   HC   _H68   100     1.09286   110.10995  -179.97202
   65    63 S   HC   _H69   101     1.09378   110.21398    60.01940
   66    63 S   HC   _H70   102     1.09346   110.22751   -59.98890
   67    61 S   CT   _C30   103     1.45938   110.03927   -36.72254
   68    67 S   HC   _H71   104     1.09299   110.08637   179.96574
   69    67 S   HC   _H72   105     1.09380   110.22509    60.00767
   70    67 S   HC   _H73   106     1.09271   110.19549   -60.00143
   71    62 S   CA   _C6_    47     1.40489   120.93664    -2.33975
   72    71 S   CA   _C7_    48     1.40256   119.14474  -177.85488
   73    71 S   CT   _C16    86     1.50889   121.40756     0.02798
   74    73 S   HC   _H45    87     1.09455   110.86837   148.46991
   75    73 S   HC   _H46    88     1.09481   108.20180   -93.38812
   76    72 S   CA   _C4_    49     1.39507   120.55568    -1.20804
   77    76 S   HA   _H44    50     1.08783   119.98158  -179.85329
   78    72 S   NE   _N33    77     1.41400   121.38980   178.30419
   79    54 S   CT   _C18    89     1.50691   123.71695     4.66102
   80    79 S   HC   _H49    90     1.13134   104.82346   116.73837
   81    76 S   CA   _C8_    51     1.39327   119.96845     0.50046
   82    78 S   CT   _C27    78     1.44743   120.26623   -89.51038
   83    82 S   HC   _H62    79     1.09260   110.14002  -180.00000
   84    82 S   HC   _H63    80     1.09407   110.19872    59.99031
   85    82 S   HC   _H64    81     1.09343   110.20609   -59.95889
   86    78 S   CT   _C28    82     1.44678   120.31139    89.85142
   87    86 S   HC   _H65    83     1.09303   110.12743   179.96574
   88    86 S   HC   _H66    84     1.09424   110.19422    60.00243
   89    86 S   HC   _H67    85     1.09322   110.25776   -59.99904
   90    79 S   CT   _C17    91     1.53945   114.21010    -0.00000
   91    90 S   HC   _H47    92     1.11533   108.72621    92.68900
   92    90 S   HC   _H48    93     1.11258   108.78464  -154.13547
   93    62 S   CA   _C9_    52     1.40079   118.95433   178.62841
   94    81 S   N    _N31    55     1.39795   118.96255  -179.92598
   95    94 S   H    _H78    56     1.02534   116.13065   179.98022
   96    93 S   OH   _O39    53     1.36530   122.03277    -1.98298
   97    96 S   HO   _H80    54     0.96953   109.99820    -0.04846
   98    94 S   C    _C15    57     1.40328   128.18775     0.05935
   99    98 S   O    _O38    58     1.22722   126.72183     0.48537
  100    98 S   CT1  _C31    59     1.51655   111.06337   179.97202
  101   100 S   HC   _H74    60     1.09452   109.71185    59.95411
  102   100 S   HC   _H75    61     1.09359   108.99109   -59.10786
  103   100 S   NT   _N32    62     1.44100   109.89525  -179.54030
  104   103 S   H    _H79    63     1.02413   110.06873   -60.02176
  105   103 S   CT   _C32    64     1.46288   111.48559   179.55898
  106   105 S   CT   _C24    65     1.53256   109.25687  -178.66353
  107   106 S   HC   _H53    66     1.09669   111.22564   -60.34879
  108   106 S   HC   _H54    67     1.09621   111.35807    59.99815
  109   106 S   HC   _H55    68     1.09693   111.11406  -179.70326
  110   105 S   CT   _C25    69     1.53133   109.08478   -58.58541
  111   110 S   HC   _H56    70     1.09583   111.18046    60.31080
  112   110 S   HC   _H57    71     1.09690   111.15683   -59.03769
  113   110 S   HC   _H58    72     1.09617   111.35231  -179.35048
  114   105 S   CT   _C26    73     1.53382   109.27003    61.46901
  115   114 S   HC   _H59    74     1.09550   111.09807   -60.27444
  116   114 S   HC   _H60    75     1.09496   111.33426    60.09932
  117   114 S   HC   _H61    76     1.09607   111.08412  -179.58693
  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  11   5   4   3
  18   2   1   1  17   8   7   1  14   5   6   3  16   2   1   1
  15  16   8   5   1  15  14   4   3   1  11   4   9  13   7   3
   2   1   3   2   1   1  15  18  10   4   3  10   4   9   4   3
   8   7   3   2   1   3   2   1   1   2   1   1   5   8   3   1
   1   7   4   8   4   3  14   4  12  11   4   3   2   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    55    56    61    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    90    50    51    55    56    61    63    67    43    44    46    39    40  
   35    36  
   36  
    0  
   38    41    42    45    49    50    55    56    61    52    43    44    46    47    48    39    40  
   41    42    45    55    43    44    46    39  
   40    41    43    50    55    56    61  
   55  
   42    45    49    54    90    50    51    55    57    52    53    43    44    46  
   45    49    50    52    43  
   44    46    47    48    45    55  
   46    47    48  
   49    54    59    79    90    91    92    50    51    55    56    61    57    58    52    53  
   47    48  
   48  
    0  
   54    59    60    62    73    79    80    90    50    51    55    57    58    52    53  
   51    55    56    61    63    67    57    52    53    54    73    79    80    90    91    92  
   55    56    61    52    79    90    91    92  
   53    54    55    57    90  
    0  
   59    60    62    71    93    73    74    75    79    80    90    91    92    57    58  
   56    61    63    64    65    66    67    68    69    70    79    90    91    92  
   61    63    67    90  
   58    59    79  
    0  
   60    62    71    72    81    93    96    73    79    80    90  
   62    71    93    79  
   63    64    65    66    67    68    69    70    90  
   71    72    76    81    93    96    97    94    78    73    74    75    79  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    76    77    81    93    96    78    82    86    73    74    75    79    80    90  
   76    77    81    93    94    78    82    83    84    85    86    87    88    89    73    74    75    79  
   74    75    79    80    90    91    92    76    78    93  
   75    79    80    90  
   79    80    90  
   77    81    93    96    94    95    98    78    82    86  
   81    93    94    78  
   82    83    84    85    86    87    88    89    81  
   80    90    91    92  
   90    91    92  
   93    96    97    94    95    98    99   100  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92  
   92  
    0  
   96    97    94    95    98  
   95    98    99   100   101   102   103    96  
   98    99   100  
   97  
    0  
   99   100   101   102   103   104   105  
  100   101   102   103  
  101   102   103   104   105   106   110   114  
  102   103   104   105  
  103   104   105  
  104   105   106   107   108   109   110   111   112   113   114   115   116   117  
  105   106   110   114  
  106   107   108   109   110   111   112   113   114   115   116   117  
  107   108   109   110   111   112   113   114   115   116   117  
  108   109   110   114  
  109   110   114  
  110   114  
  111   112   113   114   115   116   117  
  112   113   114  
  113   114  
  114  
  115   116   117  
  116   117  
  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   0.432500   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   1.3810   1.2100   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   94   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   95   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  100   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
  104   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    55   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   317.000  1.522
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    49   317.000  1.510
   45    50   268.000  1.529
   45    52   320.000  1.410
   49    54   549.000  1.340
   49    57   510.000  1.338
   54    59   320.000  1.462
   54    79   317.000  1.510
   59    60   570.000  1.229
   59    62   310.000  1.470
   62    71   469.000  1.400
   62    93   469.000  1.400
   71    72   469.000  1.400
   71    73   317.000  1.510
   72    76   469.000  1.400
   72    78   481.000  1.340
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    93   469.000  1.400
   81    94   360.000  1.404
   93    96   450.000  1.364
   96    97   553.000  0.945
   94    95   434.000  1.010
   94    98   490.000  1.335
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   305.000  1.457
  103   104   434.000  1.010
  103   105   382.000  1.448
  105   106   268.000  1.529
  105   110   268.000  1.529
  105   114   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   78    82   382.000  1.448
   78    86   382.000  1.448
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    50   268.000  1.529
   50    51   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    61   310.000  1.447
   61    63   310.000  1.447
   61    67   310.000  1.447
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   57    58   553.000  0.945
   52    53   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    55    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    63.00000  111.10000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    61    75.00000  113.73300
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  120.40000
   37    41    45    70.00000  116.00000
   37    43    44    80.00000  120.40000
   37    43    46    70.00000  116.60000
   41    37    38    35.00000  109.50000
   41    45    49    70.00000  109.06800
   41    45    50    63.00000  111.10000
   41    45    52    90.00000  109.61100
   45    41    42    80.00000  120.40000
   45    49    54    70.00000  124.00000
   45    49    57    90.00000  109.34000
   45    50    90    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    55    58.35000  112.70000
   45    52    53    55.00000  108.50000
   49    54    59    65.00000  118.96000
   49    54    79    70.00000  124.00000
   49    57    58    70.00000  107.45700
   54    59    60    80.00000  123.72100
   54    59    62    65.00000  117.02400
   54    79    73    70.00000  112.02700
   54    79    80    35.00000  109.50000
   54    79    90    70.00000  112.02700
   59    62    71    60.00000  119.52600
   59    62    93    60.00000  119.52600
   62    59    60    75.00000  123.78400
   62    71    72    63.00000  120.00000
   62    71    73    70.00000  120.00000
   62    93    81    63.00000  120.00000
   62    93    96    70.00000  120.00000
   71    72    76    63.00000  120.00000
   71    72    78    70.00000  120.10000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    79    70.00000  112.17500
   72    76    77    35.00000  120.00000
   72    76    81    63.00000  120.00000
   72    78    82    50.00000  120.00000
   72    78    86    50.00000  120.00000
   76    81    93    63.00000  120.00000
   76    81    94    70.00000  119.01900
   81    76    77    35.00000  120.00000
   81    93    96    70.00000  120.00000
   81    94    95    45.00000  118.23600
   81    94    98    65.00000  121.96500
   93    62    71    63.00000  120.00000
   93    96    97    35.00000  113.00000
   94    81    93    70.00000  119.01900
   94    98    99    80.00000  122.90000
   94    98   100    70.00000  116.60000
   98    94    95    35.00000  119.80000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    75.00000  111.54000
  100    98    99    80.00000  120.40000
  100   103   104    50.00000  111.55300
  100   103   105    51.80000  107.20000
  102   100   101    33.00000  107.80000
  103   100   101    50.00000  109.55000
  103   100   102    50.00000  109.55000
  103   105   106    56.20000  109.47000
  103   105   110    56.20000  109.47000
  103   105   114    56.20000  109.47000
  105   103   104    35.00000  109.50000
  105   106   107    37.50000  110.70000
  105   106   108    37.50000  110.70000
  105   106   109    37.50000  110.70000
  105   110   111    37.50000  110.70000
  105   110   112    37.50000  110.70000
  105   110   113    37.50000  110.70000
  105   114   115    37.50000  110.70000
  105   114   116    37.50000  110.70000
  105   114   117    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   105   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  114   105   106    58.35000  112.70000
  114   105   110    58.35000  112.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   78    72    76    70.00000  120.10000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    89    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    78    82    50.00000  115.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   73    71    72    70.00000  120.00000
   73    79    80    37.50000  110.70000
   73    79    90    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    54    59    65.00000  116.34900
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    90    91    37.50000  110.70000
   79    90    92    37.50000  110.70000
   79    90    50    58.35000  112.70000
   90    79    80    37.50000  110.70000
   90    50    51    37.50000  110.70000
   90    50    55    58.35000  112.70000
   92    90    91    33.00000  107.80000
   50    45    49    70.00000  112.02700
   50    90    91    37.50000  110.70000
   50    90    92    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    61    75.00000  113.73300
   55    33    37    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    61    63    80.00000  110.40700
   55    61    67    80.00000  110.40700
   61    55    56    50.00000  110.15500
   61    63    64    50.00000  110.15500
   61    63    65    50.00000  110.15500
   61    63    66    50.00000  110.15500
   61    67    68    50.00000  110.15500
   61    67    69    50.00000  110.15500
   61    67    70    50.00000  110.15500
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    61    63    80.00000  110.40700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   57    49    54    80.00000  121.38400
   52    45    49    90.00000  110.39200
   52    45    50    50.00000  109.50000
   43    37    38    35.00000  109.50000
   43    37    41    70.00000  107.85200
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    35.00000  120.00000
   39    33    37    50.00000  109.50000
   39    33    55    50.00000  109.50000
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
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   79    54    59    60  -0.64400  1.0 1.0
   79    54    59    60   0.26850 -1.0 2.0
   79    54   -59    62   1.50000 -1.0 2.0
   79    90   -50    45   0.56750  1.0 1.0
   79    90   -50    45  -0.07550 -1.0 2.0
   79    90   -50    45   0.20000  1.0 3.0
   79    90    50    51   0.15000  1.0 3.0
   79    90    50    55   0.56750  1.0 1.0
   79    90    50    55  -0.07550 -1.0 2.0
   79    90    50    55   0.20000  1.0 3.0
   80    79    90    91   0.15000  1.0 3.0
   80    79    90    92   0.15000  1.0 3.0
   80    79    90    50   0.15000  1.0 3.0
   90    50    55    33   0.56750  1.0 1.0
   90    50    55    33  -0.07550 -1.0 2.0
   90    50    55    33   0.20000  1.0 3.0
   90    50    55    56   0.15000  1.0 3.0
   90    50    55    61   1.85550  1.0 1.0
   90    50    55    61  -0.84100 -1.0 2.0
   91    90    50    45   0.15000  1.0 3.0
   91    90    50    51   0.15000  1.0 3.0
   91    90    50    55   0.15000  1.0 3.0
   92    90    50    45   0.15000  1.0 3.0
   92    90    50    51   0.15000  1.0 3.0
   92    90    50    55   0.15000  1.0 3.0
   50    45   -49    54   0.09850  1.0 1.0
   50    45   -49    54   0.15250 -1.0 2.0
   50    45   -49    54  -0.50650  1.0 3.0
   50    45    49    57   0.09700  1.0 1.0
   50    45    49    57   0.15600 -1.0 2.0
   50    45    49    57  -0.50800  1.0 3.0
   50    45    52    53  -0.11600  1.0 1.0
   50    45    52    53  -0.09450 -1.0 2.0
   50    45    52    53   0.21250  1.0 3.0
   50    55    61    63   1.99000  1.0 1.0
   50    55    61    63   0.18800 -1.0 2.0
   50    55    61    63   0.81350  1.0 3.0
   50    55    61    67   1.99000  1.0 1.0
   50    55    61    67   0.18800 -1.0 2.0
   50    55    61    67   0.81350  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    61   0.15000  1.0 3.0
   55    33    37    38   0.15000  1.0 3.0
   55    33   -37    41  -0.95700  1.0 1.0
   55    33   -37    41  -0.18200 -1.0 2.0
   55    33   -37    41   0.29450  1.0 3.0
   55    33    37    43  -0.95700  1.0 1.0
   55    33    37    43  -0.18200 -1.0 2.0
   55    33    37    43   0.29450  1.0 3.0
   55    33    39    40  -0.11600  1.0 1.0
   55    33    39    40  -0.09450 -1.0 2.0
   55    33    39    40   0.21250  1.0 3.0
   55    61    63    64   0.28000  1.0 3.0
   55    61    63    65   0.28000  1.0 3.0
   55    61    63    66   0.28000  1.0 3.0
   55    61    67    68   0.28000  1.0 3.0
   55    61    67    69   0.28000  1.0 3.0
   55    61    67    70   0.28000  1.0 3.0
   56    55    61    63   0.28000  1.0 3.0
   56    55    61    67   0.28000  1.0 3.0
   63    61    67    68   0.28000  1.0 3.0
   63    61    67    69   0.28000  1.0 3.0
   63    61    67    70   0.28000  1.0 3.0
   67    61    63    64   0.28000  1.0 3.0
   67    61    63    65   0.28000  1.0 3.0
   67    61    63    66   0.28000  1.0 3.0
   57    49    54    59   7.00000 -1.0 2.0
   57    49    54    79   7.00000 -1.0 2.0
   52    45    49    54   0.67800  1.0 1.0
   52    45    49    54   0.47050 -1.0 2.0
   52    45    49    54  -0.62500  1.0 3.0
   52    45    49    57   0.09700  1.0 1.0
   52    45    49    57   0.15600 -1.0 2.0
   52    45    49    57  -0.50800  1.0 3.0
   52    45    50    90   0.86500  1.0 1.0
   52    45    50    90  -0.17500 -1.0 2.0
   52    45    50    90   0.20800  1.0 3.0
   52    45    50    51   0.23400  1.0 3.0
   52    45    50    55   0.86500  1.0 1.0
   52    45    50    55  -0.17500 -1.0 2.0
   52    45    50    55   0.20800  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    45   0.65300  1.0 1.0
   43    37    41    45  -0.03850 -1.0 2.0
   43    37    41    45   0.33900  1.0 3.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   2.45000 -1.0 2.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41  -0.09450  1.0 1.0
   39    33    37    41  -1.12950 -1.0 2.0
   39    33    37    41   0.54000  1.0 3.0
   39    33    37    43  -0.09450  1.0 1.0
   39    33    37    43  -1.12950 -1.0 2.0
   39    33    37    43   0.54000  1.0 3.0
   39    33    55    50   0.86500  1.0 1.0
   39    33    55    50  -0.17500 -1.0 2.0
   39    33    55    50   0.20800  1.0 3.0
   39    33    55    56   0.23400  1.0 3.0
   39    33    55    61   3.18500  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
   36    30    34    35  10.50000 -1.0 2.0
   37    45    41    42  10.50000 -1.0 2.0
   45    57    49    54   1.10000 -1.0 2.0
   59    79    54    49   1.10000 -1.0 2.0
   54    62    59    60  10.50000 -1.0 2.0
   71    93    62    59   4.00000 -1.0 2.0
   72    73    71    62   4.00000 -1.0 2.0
   76    78    72    71   4.00000 -1.0 2.0
   81    77    76    72   1.10000 -1.0 2.0
   93    94    81    76   4.00000 -1.0 2.0
   81    96    93    62   4.00000 -1.0 2.0
   95    98    94    81   1.00000 -1.0 2.0
   94   100    98    99  10.50000 -1.0 2.0
   86    72    78    82   1.00000 -1.0 2.0
   37    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
