* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    200    330     603
    1     0 S   NP   _N1_     1    28.94365    94.02273   -19.59886
    2     1 S   H    _HN1     2     1.02953    96.74002    10.29289
    3     1 S   H    _H1_     3     1.02833    38.83643   119.30564
    4     1 S   H    _H2_     4     1.02781    76.30856   -96.97685
    5     1 S   CT   _CA1     5     1.50097   145.87998   153.56046
    6     5 S   HC   _HA1     6     1.09570   105.27539    37.19212
    7     5 S   CO3  _C1_     7     1.53860   112.21012   -83.14334
    8     7 S   O2Z  _O11     8     1.26370   115.01761   -47.64811
    9     7 S   O2Z  _O12     9     1.26225   114.91349   131.42034
   10     5 S   CT   _CB1    10     1.53077   107.42370   155.16231
   11    10 S   HC   HB11    11     1.09823   109.59068   -49.68524
   12    10 S   HC   HB12    12     1.09821   110.35267    66.94443
   13    10 S   CT   _CG1    13     1.52973   112.52366  -170.69184
   14    13 S   HC   HG11    14     1.09613   110.43440   -59.81464
   15    13 S   HC   HG12    15     1.09638   110.05748    59.42008
   16    13 S   C    _CD1    16     1.51774   112.21572   179.94766
   17    16 S   O    _OE1    17     1.22729   123.29655    -4.00345
   18    16 S   N    _N2_    18     1.38570   111.55713   175.72754
   19    18 S   H    _HN2    19     1.01596   119.09938     2.93932
   20    18 S   CT1  _CA2    20     1.46373   123.49654  -176.47474
   21    20 S   HC   _HA2    21     1.09745   109.36217    -6.49812
   22    20 S   C    _C2_    22     1.53414   108.86352  -122.17119
   23    22 S   O    _O2_    23     1.23034   122.38245  -150.95573
   24    20 S   CT   _CB2    32     1.53918   110.88806   115.26977
   25    24 S   HC   HB21    33     1.09116   107.68236    55.68092
   26    24 S   HC   HB22    34     1.09298   109.63125   175.09496
   27    22 S   N    _N3_    24     1.38387   113.57842    36.81669
   28    27 S   H    _HN3    25     1.01626   119.44593    -3.90319
   29    24 S   S    _SG2    35     1.82575   109.86275   -64.88145
   30    27 S   CT   _CA3    26     1.45271   123.09624   176.85359
   31    30 S   HC   HA31    27     1.09554   107.55848   -62.99554
   32    30 S   HC   HA32    28     1.09560   107.90125    53.39017
   33    29 S   CT   _C10    36     1.99253   107.72018   172.40402
   34    30 S   CO3  _C3_    29     1.52919   114.18352   175.36667
   35    34 S   O2Z  _O31    30     1.26362   116.09426    -0.25256
   36    34 S   O2Z  _O32    31     1.26439   114.40303   179.78330
   37    33 S   CT   _C11    37     1.57744   113.51769   -23.62718
   38    37 S   OM   _O36    38     1.32098   111.70294    65.31031
   39    37 S   HC   _H4_    39     1.09715   106.54111  -167.09264
   40    33 S   CT   _C9_    62     1.67817   108.20742   105.93111
   41    37 S   CO4  _C12    40     1.53519   113.88732   -57.63540
   42    41 S   O    _O33    41     1.23043   124.32125   146.69431
   43    40 S   CO4  _C18    63     1.57901   117.55634  -153.58191
   44    43 S   O    _O37    64     1.22944   124.62557     5.41008
   45    40 S   CT   _C29    94     1.55403   108.40874   -36.35202
   46    45 S   HC   _H31    95     1.09269   112.40472    79.39356
   47    45 S   HC   _H32    96     1.09277   111.54955   -42.15222
   48    45 S   HC   _H33    97     1.08834   114.48082  -157.82622
   49    41 S   OS   _O34    42     1.35699   115.81010   -42.21476
   50    43 S   CT   _C19    65     1.54121   117.44406  -173.91862
   51    50 S   HC   _H18    66     1.09667   107.82432   174.75070
   52    50 S   HC   _H19    67     1.09045   111.23045   -68.74839
   53    49 S   CT   _C13    43     1.44868   123.64977    34.98920
   54    53 S   HC   _H5_    44     1.09593   104.52553    79.75286
   55    50 S   CT   _C20    68     1.51235   107.72946    56.46673
   56    55 S   HC   _H6_    69     1.10503   103.23120    54.74379
   57    53 S   C5BC _C14    45     1.51106   109.15138  -169.46750
   58    33 S   CT   _C5_    53     1.61180   102.25202  -137.24527
   59    86 S   CT   _C21    70     1.57479   118.20991  -154.61552
   60    57 S   C5BC _C15    46     1.42597   128.02920    36.73555
   61    60 S   HA   _H15    47     1.08084   127.37098     1.00542
   62    58 S   CT   _C6_    54     1.57268   110.95630   -58.41030
   63    62 S   HC   _H11    55     1.09822   109.21353  -154.20542
   64    62 S   HC   _H12    56     1.09764   110.93497    91.15785
   65    59 S   CT   _C22    71     1.56046   116.76066    56.84406
   66    65 S   HC   _H7_    72     1.09844   109.84437    38.42854
   67    59 S   CT   _C28    89     1.54982   115.75135   -72.18367
   68    67 S   HC   _H28    90     1.08818   113.11652   -78.91149
   69    67 S   HC   _H29    91     1.09410   111.78335   162.57113
   70    58 S   CT   _C4_    98     1.56701   111.69590   179.01662
   71    70 S   HC   _H8_    99     1.09557   112.05968   -81.19814
   72    70 S   HC   _H9_   100     1.09575   111.48949   159.63862
   73    70 S   HC   _H10   101     1.08909   114.12244    38.46147
   74    60 S   C5A  _C16    48     1.37427   106.69584  -179.04387
   75    74 S   HA   _H16    49     1.08014   133.82922  -179.75934
   76    62 S   CT   _C7_    57     1.53950   116.49594   -31.61641
   77    76 S   HC   _H13    58     1.09325   110.76671    95.17872
   78    76 S   HC   _H14    59     1.09206   106.64091  -150.05342
   79    65 S   OS   _O38    73     1.46587   103.90819   151.91197
   80    65 S   CT   _C26    83     1.52857   118.40909   -89.81455
   81    80 S   HC   _H26    84     1.09232   112.55983    42.08279
   82    80 S   HC   _H27    85     1.09630   111.51101   -79.14043
   83    67 S   OH   _O41    92     1.42048   111.54148    43.79418
   84    83 S   HO   _H30    93     0.97221   107.23116   178.58501
   85    74 S   OA   _O35    50     1.35622   110.47697     0.65998
   86    76 S   CT   _C8_    60     1.51817   110.82268   -28.62504
   87    86 S   HC   _H3_    61     1.09445   100.94175   -46.36475
   88    55 S   CT   _C23    74     1.52571   122.08998   170.68428
   89    80 S   CO3  _C27    86     1.53056   108.99720   160.85556
   90    89 S   O2Z  _O40    87     1.26389   115.17136   -71.08169
   91    89 S   O2Z  _O39    88     1.26309   115.18109   110.07574
   92    57 S   C5A  _C17    51     1.38255   127.02286  -140.78214
   93    92 S   HA   _H17    52     1.08095   133.46075    -0.77909
   94    88 S   CT   _C24    75     1.52821   115.50340    38.30931
   95    94 S   HC   _H20    76     1.09632   110.47682   173.10010
   96    94 S   HC   _H21    77     1.09103   112.89613    54.85098
   97    94 S   HC   _H22    78     1.09506   111.40521   -66.59357
   98    88 S   CT   _C25    79     1.53470   111.54745   -86.06661
   99    98 S   HC   _H23    80     1.09622   110.75816  -175.55164
  100    98 S   HC   _H24    81     1.09471   111.58141    63.42887
  101    98 S   HC   _H25    82     1.09617   111.23364   -58.02361
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  29   2   1   1  13   6   5  23   6   2  16   6   9   3   2   1
   8  12   5   4  17   6  22   8  10  13  21   6   4  11   6   5
  18   8  10   4   3   4   2   1   1   4   2   4   3   2  14   7
   4   3   2   1   2   2   1   8   2   1   1   1   1   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    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    53    58    62    86    40    43    45    70  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    49    53    54    57    58    62    63    64    76    86    87    40    43    44    50    59    45    46    47    48    70    71    72    73  
   35    36  
   36  
    0  
   38    39    41    42    49    53    58    62    86    40    43    45    70  
   39    41    42    49    58    40  
   41    42    49    58    40  
   43    44    50    51    52    55    59    65    67    45    46    47    48    70    41    53    58    62    76    77    78    86    87  
   42    49    53    54    57    58  
   49    53  
   44    50    51    52    55    56    59    88    45    46    47    48    58    76    86    87  
   50    51    52    55    45    86  
   46    47    48    50    58    59    76    86    87  
   47    48    86  
   48    86  
   86  
   53    54    57    60    92    58    62    70  
   51    52    55    56    59    65    79    88    94    98    67    86  
   52    55    56    59    88  
   55    56    59    88  
   54    57    60    61    74    85    92    93    58    62    63    64    76    70    71    72    73  
   57    60    92    58    62    70  
   56    59    65    66    79    88    94    95    96    97    98    99   100   101    80    67    68    69    83    76    86    87  
   59    65    79    88    94    98    67    86  
   60    61    74    75    85    92    93    58    62    70  
   62    63    64    76    77    78    86    70    71    72    73    60    92  
   65    66    79    88    94    98    80    81    82    89    67    68    69    83    84    62    76    77    78    86    87  
   61    74    75    85    92    93  
   74    75    85    92  
   63    64    76    77    78    86    87    70    71    72    73  
   64    76    77    78    86    70  
   76    77    78    86    70  
   66    79    88    94    98    80    81    82    89    90    91    67    68    69    83    76    86    87  
   79    88    80    81    82    89    67    86  
   68    69    83    84    76    79    80    86    87    88  
   69    83    84    86  
   83    84    86  
   71    72    73    76  
   72    73  
   73  
    0  
   75    85    92    93  
   85    92  
   77    78    86    87  
   78    86    87  
   86    87  
   88    94    95    96    97    98    99   100   101    80    81    82    89    86  
   81    82    89    90    91    86    88  
   82    89    90    91  
   89    90    91  
   84    86  
    0  
   92    93  
   87    88  
    0  
   94    95    96    97    98    99   100   101  
   90    91  
   91  
    0  
   93  
    0  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   92   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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    58   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    57   285.000  1.502
   53    58   268.000  1.529
   57    60   469.000  1.424
   57    92   546.000  1.367
   60    61   367.000  1.080
   60    74   546.000  1.367
   74    75   367.000  1.080
   74    85   340.000  1.360
   85    92   340.000  1.360
   92    93   367.000  1.080
   58    62   268.000  1.529
   58    70   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    86   268.000  1.529
   86    87   340.000  1.090
   86    40   268.000  1.529
   86    59   268.000  1.529
   40    43   317.000  1.522
   40    45   268.000  1.529
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    88   268.000  1.529
   59    65   268.000  1.529
   59    67   268.000  1.529
   65    66   340.000  1.090
   65    79   320.000  1.410
   65    80   268.000  1.529
   79    88   320.000  1.410
   88    94   268.000  1.529
   88    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    83   320.000  1.410
   83    84   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    58    53    58.35000  112.70000
   33    58    62    58.35000  112.70000
   33    58    70    58.35000  112.70000
   33    40    86    58.35000  112.70000
   33    40    43    63.00000  111.10000
   33    40    45    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    49    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    49    53    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    57    85.00000  111.85700
   49    53    58    50.00000  109.50000
   53    57    60    60.00000  130.00000
   53    57    92    60.00000  130.00000
   53    58    62    58.35000  112.70000
   53    58    70    58.35000  112.70000
   57    53    54    35.00000  109.50000
   57    60    61    35.00000  127.50000
   57    60    74    70.00000  107.30000
   57    92    85    70.00000  110.60000
   57    92    93    35.00000  132.10000
   60    74    75    35.00000  132.10000
   60    74    85    70.00000  110.60000
   74    60    61    35.00000  125.70000
   74    85    92    70.00000  106.50000
   85    74    75    35.00000  113.40000
   85    92    93    35.00000  113.40000
   92    57    60    70.00000  107.30000
   58    33    37    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    57    70.00000  112.17500
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    76    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    72    37.50000  110.70000
   58    70    73    37.50000  110.70000
   62    76    77    37.50000  110.70000
   62    76    78    37.50000  110.70000
   62    76    86    58.35000  112.70000
   64    62    63    33.00000  107.80000
   76    62    63    37.50000  110.70000
   76    62    64    37.50000  110.70000
   76    86    87    37.50000  110.70000
   76    86    40    58.35000  112.70000
   76    86    59    58.35000  112.70000
   78    76    77    33.00000  107.80000
   86    76    77    37.50000  110.70000
   86    76    78    37.50000  110.70000
   86    40    43    63.00000  111.10000
   86    40    45    58.35000  112.70000
   86    59    55    58.35000  112.70000
   86    59    65    58.35000  112.70000
   86    59    67    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    86    87    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    50    70.00000  116.00000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    55    63.00000  111.10000
   50    43    44    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    88    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    65    58.35000  112.70000
   55    59    67    58.35000  112.70000
   55    88    79    50.00000  109.50000
   55    88    94    58.35000  112.70000
   55    88    98    58.35000  112.70000
   59    86    87    37.50000  110.70000
   59    86    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    79    50.00000  109.50000
   59    65    80    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    83    50.00000  109.50000
   65    79    88    60.00000  109.50000
   65    80    81    37.50000  110.70000
   65    80    82    37.50000  110.70000
   65    80    89    70.00000  109.69300
   79    65    66    35.00000  109.50000
   79    88    94    50.00000  109.50000
   79    88    98    50.00000  109.50000
   88    55    56    37.50000  110.70000
   88    55    59    58.35000  112.70000
   88    94    95    37.50000  110.70000
   88    94    96    37.50000  110.70000
   88    94    97    37.50000  110.70000
   88    98    99    37.50000  110.70000
   88    98   100    37.50000  110.70000
   88    98   101    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    88    94    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   80    65    66    37.50000  110.70000
   80    65    79    50.00000  109.50000
   80    89    90    70.00000  117.00000
   80    89    91    70.00000  117.00000
   82    80    81    33.00000  107.80000
   89    80    81    35.00000  109.50000
   89    80    82    35.00000  109.50000
   91    89    90    80.00000  126.00000
   67    59    65    58.35000  112.70000
   67    83    84    55.00000  108.50000
   69    67    68    33.00000  107.80000
   83    67    68    35.00000  109.50000
   83    67    69    35.00000  109.50000
   45    40    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   70    58    62    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
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   65    79    88    98   0.28050  1.0 3.0
   65    80    89    90   0.41150 -1.0 2.0
   65    80    89    91   0.41150 -1.0 2.0
   66    65    79    88   0.37050  1.0 3.0
   66    65    80    81   0.15000  1.0 3.0
   66    65    80    82   0.15000  1.0 3.0
   66    65    80    89  -0.11250  1.0 3.0
   79    65    80    81   0.23400  1.0 3.0
   79    65    80    82   0.23400  1.0 3.0
   79    65    80    89  -3.35100  1.0 1.0
   79    65    80    89  -0.37050 -1.0 2.0
   79    65    80    89   0.22400  1.0 3.0
   79    88    94    95   0.23400  1.0 3.0
   79    88    94    96   0.23400  1.0 3.0
   79    88    94    97   0.23400  1.0 3.0
   79    88    98    99   0.23400  1.0 3.0
   79    88    98   100   0.23400  1.0 3.0
   79    88    98   101   0.23400  1.0 3.0
   88    55    59    86   0.56750  1.0 1.0
   88    55    59    86  -0.07550 -1.0 2.0
   88    55    59    86   0.20000  1.0 3.0
   88    55   -59    65   0.56750  1.0 1.0
   88    55   -59    65  -0.07550 -1.0 2.0
   88    55   -59    65   0.20000  1.0 3.0
   88    55    59    67   0.56750  1.0 1.0
   88    55    59    67  -0.07550 -1.0 2.0
   88    55    59    67   0.20000  1.0 3.0
   94    88    98    99   0.15000  1.0 3.0
   94    88    98   100   0.15000  1.0 3.0
   94    88    98   101   0.15000  1.0 3.0
   98    88    94    95   0.15000  1.0 3.0
   98    88    94    96   0.15000  1.0 3.0
   98    88    94    97   0.15000  1.0 3.0
   80    65    79    88   0.06250  1.0 1.0
   80    65    79    88  -0.01100 -1.0 2.0
   80    65    79    88   0.28050  1.0 3.0
   81    80    89    90   0.00000  1.0 1.0
   81    80    89    91   0.00000  1.0 1.0
   82    80    89    90   0.00000  1.0 1.0
   82    80    89    91   0.00000  1.0 1.0
   67    59    65    66   0.15000  1.0 3.0
   67    59    65    79   0.62750  1.0 1.0
   67    59    65    79  -0.30950 -1.0 2.0
   67    59    65    79   0.27300  1.0 3.0
   67    59    65    80   0.56750  1.0 1.0
   67    59    65    80  -0.07550 -1.0 2.0
   67    59    65    80   0.20000  1.0 3.0
   68    67    83    84   0.19450  1.0 3.0
   69    67    83    84   0.19450  1.0 3.0
   45    40    43    44   0.30150 -1.0 2.0
   45    40    43    50   0.60050  1.0 1.0
   45    40    43    50   0.05600 -1.0 2.0
   45    40    43    50   0.26150  1.0 3.0
   70    58    62    63   0.15000  1.0 3.0
   70    58    62    64   0.15000  1.0 3.0
   70    58    62    76   0.56750  1.0 1.0
   70    58    62    76  -0.07550 -1.0 2.0
   70    58    62    76   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   60    92    57    53   4.00000 -1.0 2.0
   74    61    60    57   1.10000 -1.0 2.0
   85    75    74    60   1.10000 -1.0 2.0
   85    93    92    57   1.10000 -1.0 2.0
   40    50    43    44  10.50000 -1.0 2.0
   90    80    89    91  10.50000 -1.0 2.0
END
