* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    216    342     641
    1     0 S   NP   _N1_     1    28.49225    94.21140   -21.70627
    2     1 S   H    _HN1     2     1.02832    26.98782   164.33579
    3     1 S   H    _H1_     3     1.02778    95.08100   -75.25742
    4     1 S   H    _H2_     4     1.02964    89.60935    33.09428
    5     1 S   CT   _CA1     5     1.50129   137.41646   153.55621
    6     5 S   HC   _HA1     6     1.09577   105.21988    64.27466
    7     5 S   CO3  _C1_     7     1.53777   112.41756   -55.88146
    8     7 S   O2Z  _O11     8     1.26354   115.01086   -43.12172
    9     7 S   O2Z  _O12     9     1.26242   114.92071   136.03686
   10     5 S   CT   _CB1    10     1.53088   107.40364  -177.86604
   11    10 S   HC   HB11    11     1.09824   109.25492   -51.17120
   12    10 S   HC   HB12    12     1.09821   110.42521    65.34052
   13    10 S   CT   _CG1    13     1.53013   112.73503  -172.32248
   14    13 S   HC   HG11    14     1.09596   110.40256   -64.54472
   15    13 S   HC   HG12    15     1.09651   110.02276    54.68985
   16    13 S   C    _CD1    16     1.51812   112.30449   174.95119
   17    16 S   O    _OE1    17     1.22731   123.25840    -3.44492
   18    16 S   N    _N2_    18     1.38648   111.67144   176.91187
   19    18 S   H    _HN2    19     1.01580   119.10332     0.72712
   20    18 S   CT1  _CA2    20     1.46169   123.26683   179.78511
   21    20 S   HC   _HA2    21     1.09661   109.07084    -9.19013
   22    20 S   C    _C2_    22     1.53461   108.62481  -124.37609
   23    22 S   O    _O2_    23     1.23023   122.25796  -146.78802
   24    20 S   CT   _CB2    32     1.53667   111.72784   112.87533
   25    24 S   HC   HB21    33     1.09419   108.93791    54.21916
   26    24 S   HC   HB22    34     1.09079   109.69680   172.50271
   27    22 S   N    _N3_    24     1.38506   113.41130    40.84130
   28    27 S   H    _HN3    25     1.01511   118.93932    -0.74151
   29    24 S   S    _SG2    35     1.83046   111.22105   -65.72287
   30    27 S   CT   _CA3    26     1.45438   123.38789   174.67513
   31    30 S   HC   HA31    27     1.09526   109.17693    25.84929
   32    30 S   HC   HA32    28     1.09492   107.14528   142.86614
   33    29 S   CT   _C10    36     1.90698   103.71092  -155.43701
   34    30 S   CO3  _C3_    29     1.52938   113.13328   -97.56412
   35    34 S   O2Z  _O31    30     1.26403   115.43070   -43.82064
   36    34 S   O2Z  _O32    31     1.26360   114.97215   137.12669
   37    33 S   CM   _C8_    37     1.53580   108.19559    62.87988
   38    33 S   CT   _C11    58     1.56205   109.07195   -69.45752
   39    38 S   HC   _H5_    59     1.09552   110.23480   165.65240
   40    37 S   CT   _C7_    38     1.57543   117.54524    76.99332
   41    40 S   HC   _H4_    39     1.09263   104.10403   103.50487
   42    38 S   OH   _O38    60     1.41488   115.96932    46.05260
   43    42 S   HO   _H25    61     0.97252   107.70622  -175.54293
   44    37 S   CM   _C9_   112     1.34709   119.20784  -109.02360
   45    44 S   HC   _H12   113     1.08446   122.09654     4.27920
   46    44 S   HC   _H13   114     1.07879   123.69889  -177.07490
   47    40 S   CT   _C6_    40     1.57880   112.04103    -8.17616
   48    47 S   HC   _H3_    41     1.09621   106.22593   -77.71005
   49    40 S   CT   _C23    80     1.63873   115.83717  -141.31005
   50    47 S   CT   _C15    42     1.56755   116.28500    42.96196
   51    50 S   HC   _H7_    43     1.09690   106.40958  -141.87430
   52    47 S   OS   _O34    73     1.45217   110.20500   165.63035
   53    49 S   CM   _C24    81     1.52701   114.98231   152.66705
   54    53 S   HC   _H26    82     1.09075   116.14895   -68.90522
   55    49 S   CT   _C34   108     1.55705   107.50738    40.74102
   56    55 S   HC   _H39   109     1.09223   113.22166   -71.18306
   57    55 S   HC   _H40   110     1.09811   112.25532   167.62637
   58    55 S   HC   _H41   111     1.09513   110.73213    49.84066
   59    33 S   CT   _C14    44     1.58148   112.22352  -178.60254
   60    50 S   OS   _O35    66     1.45344   109.84852   100.80507
   61    52 S   CO4  _C5_    74     1.36492   117.69972   149.26591
   62    61 S   O    _O33    75     1.22288   126.36545    -3.29438
   63    53 S   CM   _C25    83     1.33592   127.93828   114.46897
   64    63 S   HC   _H27    84     1.08413   121.22574   176.68318
   65    59 S   CT   _C13    45     1.56921   101.43250    68.50494
   66    65 S   HC   _H6_    46     1.09990   108.07630   -76.27696
   67    59 S   CT   _C18    62     1.57324   111.97503  -175.11561
   68    67 S   HC   _H19    63     1.09180   112.79269    62.75358
   69    67 S   HC   _H20    64     1.09319   113.05243   -58.66601
   70    67 S   HC   _H21    65     1.09509   111.95675  -177.93124
   71    60 S   CO4  _C16    67     1.36123   119.34271   110.83116
   72    71 S   O    _O36    68     1.22260   126.77350    -1.93026
   73    61 S   CT   _C4_    76     1.49843   109.55202   176.67192
   74    73 S   HC   _H9_    77     1.09293   109.86223   -57.14383
   75    73 S   HC   _H10    78     1.09376   109.30241  -175.88810
   76    73 S   HC   _H11    79     1.09206   110.03313    64.80599
   77    63 S   CO4  _C26    85     1.47485   121.26693    -4.90816
   78    77 S   O    _O39    86     1.22989   118.74785   172.75635
   79    65 S   C5BC _C19    47     1.50007   117.97046   164.81843
   80    65 S   CT   _C12    55     1.54612   104.71826    36.45687
   81    80 S   HC   _H14    56     1.09570   113.31881   108.66932
   82    80 S   HC   _H15    57     1.09715   110.32073  -132.57792
   83    71 S   CT   _C17    69     1.49820   109.28752   178.00306
   84    83 S   HC   _H16    70     1.09295   109.77368   -61.88580
   85    83 S   HC   _H17    71     1.09372   109.36591   179.03917
   86    83 S   HC   _H18    72     1.09289   109.84936    60.00862
   87    77 S   CT   _C27    87     1.52655   117.97579   -10.77430
   88    79 S   C5BC _C20    48     1.42642   126.10587   102.67253
   89    88 S   HA   _H22    49     1.08110   127.26329    -0.76361
   90    49 S   CT   _C28    88     1.61198   110.89719   -83.88276
   91    90 S   HC   _H8_    89     1.09231   107.39496    26.92966
   92    87 S   CT   _C32   100     1.54214   106.90779   -83.78760
   93    92 S   HC   _H33   101     1.09522   111.19405   174.09041
   94    92 S   HC   _H34   102     1.09144   112.77664    51.39707
   95    92 S   HC   _H35   103     1.09735   111.07089   -66.41683
   96    87 S   CT   _C33   104     1.54548   108.77754   162.34387
   97    96 S   HC   _H36   105     1.09490   111.21837  -176.15427
   98    96 S   HC   _H37   106     1.09734   111.32481    64.59231
   99    96 S   HC   _H38   107     1.09438   112.28086   -53.50784
  100    88 S   C5A  _C21    50     1.37390   106.87314   179.44715
  101   100 S   HA   _H23    51     1.08020   133.84115   179.65508
  102    90 S   CT   _C29    90     1.56322   113.14169   144.82798
  103   102 S   HC   _H28    91     1.09560   110.23115    88.96977
  104   102 S   HC   _H29    92     1.09064   113.15967   -30.64974
  105   100 S   OA   _O37    52     1.35573   110.39517    -0.71710
  106   102 S   CO4  _C30    93     1.51759   113.56728  -147.16667
  107   106 S   O    _O40    94     1.22362   124.82040    33.89336
  108    79 S   C5A  _C22    53     1.38261   129.18568   -79.38878
  109   108 S   HA   _H24    54     1.08070   133.50321     0.92704
  110   106 S   OS   _O41    95     1.36488   109.42933  -148.14148
  111   110 S   CT   _C31    96     1.43041   115.20546  -179.38103
  112   111 S   HC   _H30    97     1.09327   108.10945  -179.07085
  113   111 S   HC   _H31    98     1.09419   110.26492    62.23614
  114   111 S   HC   _H32    99     1.09429   110.30849   -60.38642
  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  12   5   4   3
  26   2   1   1  20  14   7  24   9   6   1   5   1   1  16   7
  20  16   6   8  13   5   8   3   2   1  14   8   5   4   7   3
  15   7   5   2   1   1   5   4   3   2   1   1  13   4  10   4
   1   1   3   2   1   1  14   6   4  15   6   8   3   2   1   4
   2   1   1   4   2   6   4   3   2   6   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    50    59    65    80    38    39    42    67    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    50    51    59    65    66    79    80    81    82    38    39    42    43    67    68    69    70    60    49    44    45    46  
   35    36  
   36  
    0  
   40    41    47    48    50    59    65    80    38    39    42    67    52    49    53    90    55    44    45    46  
   39    42    43    67    44    40    50    59    65    66    79    80    81    82  
   42    43    59    65    80    81    82  
   41    47    48    50    51    59    60    52    61    49    53    54    63    87    90    91   102    55    56    57    58    44    45    46  
   47    48    50    52    49    53    90    55    44  
   43    59    65    80    81    82  
   80  
   45    46    47    49    59  
   46  
    0  
   48    50    51    59    65    67    60    71    52    61    62    73    49    53    90    55  
   50    51    59    60    52    61    49  
   53    54    63    64    77    87    90    91   102   103   104   106    92    96    55    56    57    58    50    52  
   51    59    65    66    79    80    67    68    69    70    60    71    72    83    52    61  
   59    65    67    60    71    52  
   61    62    73    74    75    76    59    60  
   54    63    64    77    78    87    90    91   102    55    56    57    58  
   63    64    77    90    55  
   56    57    58    63    87    90    91   102  
   57    58    90  
   58    90  
   90  
   65    66    79    88   108    80    81    82    67    68    69    70    60    71  
   71    72    83    84    85    86    65    67  
   62    73    74    75    76  
   73    74    75    76  
   64    77    78    87    90    92    96  
   77    78    87  
   66    79    88    89   100   105   108   109    80    81    82    67    68    69    70  
   79    88   108    80    81    82    67  
   68    69    70    79    80  
   69    70  
   70  
    0  
   72    83    84    85    86  
   83    84    85    86  
   74    75    76  
   75    76  
   76  
    0  
   78    87    90    91   102    92    93    94    95    96    97    98    99  
   87    90    92    96  
   88    89   100   101   105   108   109    80    81    82  
   81    82    88   108  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   90    91   102   103   104   106    92    93    94    95    96    97    98    99  
   89   100   101   105   108   109  
  100   101   105   108  
   91   102   103   104   106   107   110    92    93    94    95    96    97    98    99  
  102   103   104   106    92    96  
   93    94    95    96    97    98    99   102  
   94    95    96  
   95    96  
   96  
   97    98    99   102  
   98    99  
   99  
    0  
  101   105   108   109  
  105   108  
  103   104   106   107   110   111  
  104   106   107   110  
  106   107   110  
  108   109  
  107   110   111   112   113   114  
  110   111  
  109  
    0  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  106   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  109   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  110   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  111   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  114   2.4200   0.0150   0.030000   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    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   317.000  1.510
   33    59   268.000  1.529
   33    38   268.000  1.529
   37    40   317.000  1.510
   37    44   549.000  1.340
   40    41   340.000  1.090
   40    47   268.000  1.529
   40    49   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    52   320.000  1.410
   50    51   340.000  1.090
   50    59   268.000  1.529
   50    60   320.000  1.410
   59    65   268.000  1.529
   59    67   268.000  1.529
   65    66   340.000  1.090
   65    79   285.000  1.502
   65    80   268.000  1.529
   79    88   469.000  1.424
   79   108   546.000  1.367
   88    89   367.000  1.080
   88   100   546.000  1.367
  100   101   367.000  1.080
  100   105   340.000  1.360
  105   108   340.000  1.360
  108   109   367.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    38   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    43   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    71   214.000  1.327
   71    72   570.000  1.229
   71    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    61   214.000  1.327
   61    62   570.000  1.229
   61    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   49    53   317.000  1.510
   49    90   268.000  1.529
   49    55   268.000  1.529
   53    54   340.000  1.080
   53    63   549.000  1.340
   63    64   340.000  1.080
   63    77   320.000  1.462
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    90   268.000  1.529
   87    92   268.000  1.529
   87    96   268.000  1.529
   90    91   340.000  1.090
   90   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   106   317.000  1.522
  106   107   570.000  1.229
  106   110   214.000  1.327
  110   111   320.000  1.410
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   44    45   340.000  1.080
   44    46   340.000  1.080
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  112.20000
   29    33    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    50    58.35000  112.70000
   33    59    65    58.35000  112.70000
   33    59    67    58.35000  112.70000
   33    38    80    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    35.00000  109.50000
   37    40    47    70.00000  112.02700
   37    40    49    70.00000  112.02700
   37    44    45    35.00000  120.00000
   37    44    46    35.00000  120.00000
   40    47    48    37.50000  110.70000
   40    47    50    58.35000  112.70000
   40    47    52    50.00000  109.50000
   40    49    53    70.00000  112.02700
   40    49    90    58.35000  112.70000
   40    49    55    58.35000  112.70000
   47    40    41    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    59    58.35000  112.70000
   47    50    60    50.00000  109.50000
   47    52    61    83.00000  116.90000
   50    47    48    37.50000  110.70000
   50    59    65    58.35000  112.70000
   50    59    67    58.35000  112.70000
   50    60    71    83.00000  116.90000
   59    33    37    70.00000  112.02700
   59    50    51    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    79    70.00000  112.17500
   59    65    80    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   65    79    88    60.00000  130.00000
   65    79   108    60.00000  130.00000
   65    80    81    37.50000  110.70000
   65    80    82    37.50000  110.70000
   65    80    38    58.35000  112.70000
   79    65    66    35.00000  109.50000
   79    88    89    35.00000  127.50000
   79    88   100    70.00000  107.30000
   79   108   105    70.00000  110.60000
   79   108   109    35.00000  132.10000
   88   100   101    35.00000  132.10000
   88   100   105    70.00000  110.60000
  100    88    89    35.00000  125.70000
  100   105   108    70.00000  106.50000
  105   100   101    35.00000  113.40000
  105   108   109    35.00000  113.40000
  108    79    88    70.00000  107.30000
   80    65    66    37.50000  110.70000
   80    65    79    70.00000  112.17500
   80    38    39    37.50000  110.70000
   80    38    42    50.00000  109.50000
   82    80    81    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   38    80    81    37.50000  110.70000
   38    80    82    37.50000  110.70000
   38    42    43    55.00000  108.50000
   42    38    39    35.00000  109.50000
   67    59    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    59    50.00000  109.50000
   60    71    72    83.00000  123.40000
   60    71    83    81.00000  111.40000
   71    83    84    35.00000  109.50000
   71    83    85    35.00000  109.50000
   71    83    86    35.00000  109.50000
   83    71    72    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    50    50.00000  109.50000
   52    61    62    83.00000  123.40000
   52    61    73    81.00000  111.40000
   61    73    74    35.00000  109.50000
   61    73    75    35.00000  109.50000
   61    73    76    35.00000  109.50000
   73    61    62    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   49    40    41    37.50000  110.70000
   49    40    47    58.35000  112.70000
   49    53    54    35.00000  117.00000
   49    53    63    70.00000  124.00000
   49    90    87    58.35000  112.70000
   49    90    91    37.50000  110.70000
   49    90   102    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   53    63    64    35.00000  120.00000
   53    63    77    65.00000  118.96000
   63    53    54    35.00000  120.00000
   63    77    78    80.00000  123.72100
   63    77    87    65.00000  118.62400
   77    63    64    40.00000  117.72500
   77    87    90    63.00000  111.10000
   77    87    92    63.00000  111.10000
   77    87    96    63.00000  111.10000
   87    77    78    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90   102    58.35000  112.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    95    37.50000  110.70000
   87    96    97    37.50000  110.70000
   87    96    98    37.50000  110.70000
   87    96    99    37.50000  110.70000
   90    49    53    70.00000  112.02700
   90   102   103    37.50000  110.70000
   90   102   104    37.50000  110.70000
   90   102   106    63.00000  111.10000
  102    90    91    37.50000  110.70000
  102   106   107    80.00000  120.40000
  102   106   110    81.00000  111.40000
  104   102   103    33.00000  107.80000
  106   102   103    35.00000  109.50000
  106   102   104    35.00000  109.50000
  106   110   111    83.00000  116.90000
  110   106   107    83.00000  123.40000
  110   111   112    35.00000  109.50000
  110   111   113    35.00000  109.50000
  110   111   114    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   92    87    90    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    87    90    58.35000  112.70000
   96    87    92    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   55    49    53    70.00000  112.02700
   55    49    90    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   44    37    40    70.00000  124.00000
   46    44    45    35.00000  117.00000
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
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   49    40    47    50   0.20000  1.0 3.0
   49    40    47    52   0.62750  1.0 1.0
   49    40    47    52  -0.30950 -1.0 2.0
   49    40    47    52   0.27300  1.0 3.0
   49    53    63    64   7.00000 -1.0 2.0
   49    53    63    77   7.00000 -1.0 2.0
   49    90   102   103   0.15000  1.0 3.0
   49    90   102   104   0.15000  1.0 3.0
   49    90   102   106  -0.95700  1.0 1.0
   49    90   102   106  -0.18200 -1.0 2.0
   49    90   102   106   0.29450  1.0 3.0
   53    49    90    87   0.34400  1.0 1.0
   53    49    90    87   0.09450 -1.0 2.0
   53    49    90    87   0.11100  1.0 3.0
   53    49    90    91   0.15000  1.0 3.0
   53    49    90   102   0.34400  1.0 1.0
   53    49    90   102   0.09450 -1.0 2.0
   53    49    90   102   0.11100  1.0 3.0
   53    49    55    56   0.15000  1.0 3.0
   53    49    55    57   0.15000  1.0 3.0
   53    49    55    58   0.15000  1.0 3.0
   53    63    77    78   1.00000 -1.0 2.0
   53    63   -77    87  -0.33500  1.0 1.0
   53    63   -77    87   1.06600 -1.0 2.0
   53    63   -77    87  -0.14000  1.0 3.0
   54    53    63    64   7.00000 -1.0 2.0
   54    53    63    77   7.00000 -1.0 2.0
   63    77    87    90   0.65300  1.0 1.0
   63    77    87    90  -0.03850 -1.0 2.0
   63    77    87    90   0.33900  1.0 3.0
   63    77    87    92   0.65300  1.0 1.0
   63    77    87    92  -0.03850 -1.0 2.0
   63    77    87    92   0.33900  1.0 3.0
   63    77    87    96   0.65300  1.0 1.0
   63    77    87    96  -0.03850 -1.0 2.0
   63    77    87    96   0.33900  1.0 3.0
   64    63    77    78   0.00000  1.0 1.0
   64    63    77    87   0.04550  1.0 1.0
   64    63    77    87   0.83000 -1.0 2.0
   64    63    77    87  -0.04000  1.0 3.0
   77    87   -90    49  -0.95700  1.0 1.0
   77    87   -90    49  -0.18200 -1.0 2.0
   77    87   -90    49   0.29450  1.0 3.0
   77    87    90    91  -0.11250  1.0 3.0
   77    87    90   102  -0.95700  1.0 1.0
   77    87    90   102  -0.18200 -1.0 2.0
   77    87    90   102   0.29450  1.0 3.0
   77    87    92    93  -0.11250  1.0 3.0
   77    87    92    94  -0.11250  1.0 3.0
   77    87    92    95  -0.11250  1.0 3.0
   77    87    96    97  -0.11250  1.0 3.0
   77    87    96    98  -0.11250  1.0 3.0
   77    87    96    99  -0.11250  1.0 3.0
   78    77    87    90   0.30150 -1.0 2.0
   78    77    87    92   0.30150 -1.0 2.0
   78    77    87    96   0.30150 -1.0 2.0
   87    90   102   103   0.15000  1.0 3.0
   87    90   102   104   0.15000  1.0 3.0
   87    90   102   106  -0.95700  1.0 1.0
   87    90   102   106  -0.18200 -1.0 2.0
   87    90   102   106   0.29450  1.0 3.0
   90    49    53    54   0.00000  1.0 1.0
   90    49   -53    63   0.09850  1.0 1.0
   90    49   -53    63   0.15250 -1.0 2.0
   90    49   -53    63  -0.50650  1.0 3.0
   90    49    55    56   0.15000  1.0 3.0
   90    49    55    57   0.15000  1.0 3.0
   90    49    55    58   0.15000  1.0 3.0
   90    87    92    93   0.15000  1.0 3.0
   90    87    92    94   0.15000  1.0 3.0
   90    87    92    95   0.15000  1.0 3.0
   90    87    96    97   0.15000  1.0 3.0
   90    87    96    98   0.15000  1.0 3.0
   90    87    96    99   0.15000  1.0 3.0
   90   102   106   107   0.30150 -1.0 2.0
   90   102   106   110   0.36750  1.0 3.0
   91    90   102   103   0.15000  1.0 3.0
   91    90   102   104   0.15000  1.0 3.0
   91    90   102   106  -0.11250  1.0 3.0
  102   106   110   111   1.63150  1.0 1.0
  102   106   110   111   2.92000 -1.0 2.0
  103   102   106   107   0.00000  1.0 1.0
  103   102   106   110   0.00000  1.0 1.0
  104   102   106   107   0.00000  1.0 1.0
  104   102   106   110   0.00000  1.0 1.0
  106   110   111   112   0.08050  1.0 3.0
  106   110   111   113   0.08050  1.0 3.0
  106   110   111   114   0.08050  1.0 3.0
  107   106   110   111   3.00000 -1.0 2.0
   92    87    90    49   0.56750  1.0 1.0
   92    87    90    49  -0.07550 -1.0 2.0
   92    87    90    49   0.20000  1.0 3.0
   92    87    90    91   0.15000  1.0 3.0
   92    87    90   102   0.56750  1.0 1.0
   92    87    90   102  -0.07550 -1.0 2.0
   92    87    90   102   0.20000  1.0 3.0
   92    87    96    97   0.15000  1.0 3.0
   92    87    96    98   0.15000  1.0 3.0
   92    87    96    99   0.15000  1.0 3.0
   96    87    90    49   0.56750  1.0 1.0
   96    87    90    49  -0.07550 -1.0 2.0
   96    87    90    49   0.20000  1.0 3.0
   96    87    90    91   0.15000  1.0 3.0
   96    87    90   102   0.56750  1.0 1.0
   96    87    90   102  -0.07550 -1.0 2.0
   96    87    90   102   0.20000  1.0 3.0
   96    87    92    93   0.15000  1.0 3.0
   96    87    92    94   0.15000  1.0 3.0
   96    87    92    95   0.15000  1.0 3.0
   55    49    53    54   0.00000  1.0 1.0
   55    49    53    63   0.09850  1.0 1.0
   55    49    53    63   0.15250 -1.0 2.0
   55    49    53    63  -0.50650  1.0 3.0
   55    49    90    87   0.56750  1.0 1.0
   55    49    90    87  -0.07550 -1.0 2.0
   55    49    90    87   0.20000  1.0 3.0
   55    49    90    91   0.15000  1.0 3.0
   55    49    90   102   0.56750  1.0 1.0
   55    49    90   102  -0.07550 -1.0 2.0
   55    49    90   102   0.20000  1.0 3.0
   44    37    40    41   0.00000  1.0 1.0
   44    37    40    47   0.09850  1.0 1.0
   44    37    40    47   0.15250 -1.0 2.0
   44    37    40    47  -0.50650  1.0 3.0
   44    37    40    49   0.09850  1.0 1.0
   44    37    40    49   0.15250 -1.0 2.0
   44    37    40    49  -0.50650  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
   33    40    37    44   1.10000 -1.0 2.0
   88   108    79    65   4.00000 -1.0 2.0
  100    89    88    79   1.10000 -1.0 2.0
  105   101   100    88   1.10000 -1.0 2.0
  105   109   108    79   1.10000 -1.0 2.0
   60    83    71    72  10.50000 -1.0 2.0
   52    73    61    62  10.50000 -1.0 2.0
   49    54    53    63   1.10000 -1.0 2.0
   77    64    63    53   1.10000 -1.0 2.0
   63    87    77    78  10.50000 -1.0 2.0
  102   110   106   107  10.50000 -1.0 2.0
   45    46    44    37   1.10000 -1.0 2.0
END
