* LIGAND DATABASE FILE (OPLS2005)
*
001     106   111    202    325     596
    1     0 S   NP   _N1_     1    28.46033    96.74689   -20.73777
    2     1 S   H    _HN1     2     1.02831    45.23491   138.64583
    3     1 S   H    _H1_     3     1.02774    87.68026  -103.07481
    4     1 S   H    _H2_     4     1.02951    76.04347     6.53144
    5     1 S   CT   _CA1     5     1.50073   154.30586   114.66715
    6     5 S   HC   _HA1     6     1.09581   105.23301    76.92188
    7     5 S   CO3  _C1_     7     1.53878   112.66279   -43.22782
    8     7 S   O2Z  _O11     8     1.26357   115.01199   -37.86270
    9     7 S   O2Z  _O12     9     1.26306   114.94434   141.59219
   10     5 S   CT   _CB1    10     1.53163   107.48546  -165.03339
   11    10 S   HC   HB11    11     1.09803   109.45016   -49.93718
   12    10 S   HC   HB12    12     1.09807   110.46079    66.79931
   13    10 S   CT   _CG1    13     1.52846   112.33379  -171.02955
   14    13 S   HC   HG11    14     1.09579   110.35129   -62.29152
   15    13 S   HC   HG12    15     1.09589   109.74095    56.78119
   16    13 S   C    _CD1    16     1.51686   112.84879   176.58052
   17    16 S   O    _OE1    17     1.22690   123.44049   -13.68343
   18    16 S   N    _N2_    18     1.38554   111.36188   167.51391
   19    18 S   H    _HN2    19     1.01586   118.97631    -0.72199
   20    18 S   CT1  _CA2    20     1.46119   123.29563   178.51602
   21    20 S   HC   _HA2    21     1.09722   108.64635    25.17872
   22    20 S   C    _C2_    22     1.53265   110.51709   -91.57411
   23    22 S   O    _O2_    23     1.23134   121.00028   164.90411
   24    20 S   CT   _CB2    32     1.53339   111.07308   147.48428
   25    24 S   HC   HB21    33     1.09392   109.36287    58.55143
   26    24 S   HC   HB22    34     1.09472   110.36141   176.95946
   27    22 S   N    _N3_    24     1.38106   114.74181   -20.81775
   28    27 S   H    _HN3    25     1.01533   119.39896     6.41753
   29    24 S   S    _SG2    35     1.83181   110.37712   -63.20056
   30    27 S   CT   _CA3    26     1.45286   123.21059  -177.23147
   31    30 S   HC   HA31    27     1.09538   108.09116   -54.01611
   32    30 S   HC   HA32    28     1.09559   107.43126    62.39723
   33    29 S   CT   _C27    36     1.91482   101.09348   158.45176
   34    30 S   CO3  _C3_    29     1.52911   113.77076  -175.47632
   35    34 S   O2Z  _O31    30     1.26400   115.82479    19.44943
   36    34 S   O2Z  _O32    31     1.26365   114.66258  -160.43481
   37    33 S   CM   _C16    37     1.51258   109.77051    58.44038
   38    33 S   CO4  _C18    84     1.53009   102.65818   -65.14667
   39    38 S   O    _O34    85     1.23089   121.41939   -51.89034
   40    37 S   CA   _C11    38     1.50180   110.99175    59.94860
   41    37 S   CMA  _C17    73     1.36571   125.61760  -129.58864
   42    41 S   OM   _O33    74     1.27029   126.46016  -168.85947
   43    40 S   CA   _C12    39     1.40885   116.89584    36.83509
   44    41 S   CA   _C9_    75     1.52387   115.11623     8.95747
   45    43 S   CA   _C7_    40     1.40863   119.87274   178.90890
   46    45 S   HA   _H45    41     1.08876   119.37178  -178.60492
   47    43 S   CO   _C21    52     1.51942   121.66483    -4.31865
   48    47 S   HC   _H49    53     1.09740   107.55812  -125.88967
   49    44 S   CA   _C5_    76     1.42028   118.89114   180.00000
   50    49 S   HA   _H43    77     1.08910   120.97869     0.89657
   51    45 S   CA   _C13    42     1.39755   121.23528     2.65380
   52    33 S   NT   _N31    54     1.49272   109.53774  -179.79826
   53    49 S   CA   _C4_    78     1.39532   122.68783  -179.35898
   54    53 S   HA   _H42    79     1.08587   120.05363  -179.33677
   55    51 S   CA   _C8_    43     1.39543   118.86073     0.58115
   56    55 S   HA   _H46    44     1.08729   119.60646   178.06346
   57    51 S   CT   _C28    48     1.49872   120.51303  -178.43040
   58    57 S   HC   _H55    49     1.09432   109.96682    88.62138
   59    57 S   HC   _H56    50     1.09511   110.99392  -150.90942
   60    57 S   HC   _H57    51     1.09511   110.93571   -31.86318
   61    52 S   CT1  _C22    55     1.47784   116.44221   168.32173
   62    61 S   HC   _H50    56     1.09290   111.01570    22.20233
   63    53 S   CA   _C6_    80     1.38236   119.60868     1.18234
   64    63 S   HA   _H44    81     1.08635   119.85697   179.59846
   65    40 S   CA   _C15    45     1.40637   124.81870  -138.04037
   66    61 S   CO4  _C19    57     1.51602   104.56129   135.72072
   67    66 S   O    _O35    58     1.22172   126.08000   178.91827
   68    61 S   CTE  _C33    60     1.55337   112.05781  -103.10912
   69    68 S   HC   _H69    61     1.09493   108.15345    58.46115
   70    63 S   CA   _C14    82     1.39485   119.49142     0.29475
   71    65 S   OH   _O38    46     1.37112   120.16785     4.44651
   72    71 S   HO   _H70    47     0.97113   109.19883  -175.76136
   73    47 S   OS   _O36    59     1.42334   107.40645   119.04210
   74    68 S   CT   _C31    62     1.53690   112.83769   -58.75992
   75    74 S   HC   _H64    63     1.09476   111.67034   -64.31578
   76    74 S   HC   _H65    64     1.09566   110.50058   175.98375
   77    74 S   HC   _H66    65     1.09451   111.47906    56.96158
   78    68 S   CT   _C32    66     1.54537   114.38760   175.56217
   79    78 S   HC   _H67    67     1.09790   108.45012  -176.30737
   80    78 S   HC   _H68    68     1.09504   111.04557    67.77704
   81    44 S   CA   _C10    83     1.40602   124.41643     0.67869
   82    70 S   OS   _O41    86     1.37481   116.44487   179.60833
   83    78 S   CT   _C30    69     1.52210   113.98286   -56.33753
   84    83 S   HC   _H61    70     1.09358   111.67588    68.84916
   85    83 S   HC   _H62    71     1.09421   111.10464   -52.65869
   86    83 S   HC   _H63    72     1.09488   109.95076  -172.08403
   87    82 S   CO   _C26    87     1.44237   110.67391   -89.92385
   88    87 S   HC   _H54    88     1.09976   109.62682   -48.45226
   89    87 S   CT   _C20    89     1.53057   107.26286  -166.93843
   90    89 S   HC   _H47    90     1.09676   110.71493    59.34903
   91    89 S   HC   _H48    91     1.09811   110.13069   -56.41825
   92    89 S   CT   _C23    92     1.52584   110.33746  -177.92415
   93    92 S   HC   _H51    93     1.09584   109.09043   -66.75271
   94    92 S   CT   _C24    94     1.53198   110.91305    52.89843
   95    94 S   HC   _H52    95     1.09583   109.86479  -175.45554
   96    92 S   OH   _O39   105     1.42256   110.66371   175.24305
   97    96 S   HO   _H71   106     0.97584   108.14129    54.30129
   98    94 S   CT   _C25    96     1.53621   109.33959   -52.78274
   99    98 S   HC   _H53    97     1.09647   109.99395   -62.44308
  100    94 S   OH   _O40   103     1.43077   108.86209    67.47486
  101   100 S   HO   _H72   104     0.97178   107.57405   166.79999
  102    87 S   OS   _O37    98     1.43345   111.97622    72.77302
  103    98 S   CT   _C29    99     1.52323   112.95653   176.62264
  104   103 S   HC   _H58   100     1.09508   111.64537   -66.11260
  105   103 S   HC   _H59   101     1.09575   110.00368   176.25211
  106   103 S   HC   _H60   102     1.09404   111.29607    56.05983
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   2   1   1  16  12   4  16  10   3  13   8  13   4  10   4
   7   4   8  10   6   3   8   3   4   2   1   1  14   7   5   3
   2   6   2  13   8   6   1   1   1   7   3   2   1   6   5   4
   2   8   3   2   1   1  12   6  11   6   5  11   6  12   7   3
   1   8   6   3   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    61    41    81    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    65    47    48    52    61    62    66    73    68    41    42    44    70    81    38    39  
   35    36  
   36  
    0  
   40    43    45    55    65    71    47    52    61    41    42    44    49    81    38    39  
   39    82    40    41    44    47    49    52    61    63    70    81  
   44    52    70    81  
   43    45    46    51    55    56    65    71    72    47    48    52    73    41    42    44  
   42    44    49    50    53    70    81    43    52    65  
   44    49    81  
   45    46    51    55    65    71    57    47    48    52    61    66    73  
   49    50    53    54    63    70    81    82  
   46    51    55    56    65    57    58    59    60    47    48    52    73  
   51    55    57    47  
   48    52    61    62    66    67    73    68    51    65  
   52    61    66    73  
   50    53    54    63    64    70    81  
   53    54    63    81  
   55    56    65    71    57    58    59    60  
   61    62    66    67    73    68    69    74    78    81  
   54    63    64    70    81    82  
   63    64    70  
   56    65    71    72    57    58    59    60  
   65    71    57  
   58    59    60    65  
   59    60  
   60  
    0  
   62    66    67    73    68    69    74    75    76    77    78    79    80    83  
   66    67    73    68    69    74    78  
   64    70    81    82    87  
   70    81    82  
   71    72  
   67    73    68    69    74    78  
   73    68  
   69    74    75    76    77    78    79    80    83    84    85    86    73  
   74    75    76    77    78    79    80    83  
   81    82    87    88    89   102  
   72  
    0  
    0  
   75    76    77    78    79    80    83  
   76    77    78  
   77    78  
   78  
   79    80    83    84    85    86  
   80    83    84    85    86  
   83    84    85    86  
   82    87  
   87    88    89    90    91    92    98   102  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93    94    98    99   102   103    96  
   89    90    91    92    98   102  
   90    91    92    93    94    95    98   102   100    96    97  
   91    92    93    94   102    96  
   92    93    94   102    96  
   93    94    95    98    99   102   103   100   101    96    97  
   94    95    98   100    96    97  
   95    98    99   102   103   104   105   106   100   101    96    97  
   98    99   102   103   100   101    96  
   97    98   100  
    0  
   99   102   103   104   105   106   100   101  
  102   103   104   105   106   100  
  101   102   103  
    0  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    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   0.377500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   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   317.000  1.510
   33    52   382.000  1.448
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   270.000  1.504
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    55   469.000  1.400
   51    57   317.000  1.510
   55    56   367.000  1.080
   55    65   469.000  1.400
   65    71   450.000  1.364
   71    72   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    48   340.000  1.090
   47    52   340.000  1.430
   47    73   320.000  1.380
   52    61   305.000  1.457
   61    62   340.000  1.090
   61    66   255.000  1.522
   61    68   268.000  1.529
   66    67   570.000  1.229
   66    73   214.000  1.327
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    49   469.000  1.400
   44    81   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    81   469.000  1.400
   70    82   450.000  1.364
   81    38   310.000  1.470
   38    39   570.000  1.229
   82    87   320.000  1.380
   87    88   340.000  1.090
   87    89   250.000  1.527
   87   102   320.000  1.380
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    96   320.000  1.410
   94    95   340.000  1.090
   94    98   268.000  1.529
   94   100   320.000  1.410
   98    99   340.000  1.090
   98   102   320.000  1.410
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  100   101   553.000  0.945
   96    97   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  112.20000
   29    33    52    85.00000  109.00000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    52    47    80.00000  111.82000
   33    52    61    51.80000  107.20000
   33    38    81    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    43    60.00000  120.93500
   37    40    65    60.00000  120.93500
   37    41    42    65.00000  137.10300
   37    41    44    60.00000  123.20500
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  120.68000
   40    65    55    63.00000  120.00000
   40    65    71    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    51    63.00000  120.00000
   43    47    48    45.00000  112.15300
   43    47    52    75.00000  112.33000
   43    47    73    90.00000  107.97000
   45    51    55    63.00000  120.00000
   45    51    57    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    65    63.00000  120.00000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    65    71    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    55    56    35.00000  120.00000
   65    71    72    35.00000  113.00000
   57    51    55    70.00000  120.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    43    45    60.00000  120.68000
   47    52    61    80.00000  111.82000
   47    73    66    95.00000  111.08000
   52    33    37    75.00000  110.70900
   52    47    48    50.00000  110.45300
   52    61    62    50.00000  109.55000
   52    61    66    75.00000  112.91400
   52    61    68    75.00000  111.58000
   61    66    67    75.00000  123.42600
   61    66    73    90.00000  109.72300
   61    68    69    37.50000  110.70000
   61    68    74    58.35000  112.70000
   61    68    78    58.35000  112.70000
   66    61    62    45.00000  110.09800
   73    47    48    35.00000  109.50000
   73    47    52   100.00000  112.06800
   73    66    67    83.00000  123.40000
   68    61    62    37.50000  110.70000
   68    61    66    63.00000  111.10000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    80    37.50000  110.70000
   68    78    83    58.35000  112.70000
   74    68    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    74    58.35000  112.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   80    78    79    33.00000  107.80000
   83    78    79    37.50000  110.70000
   83    78    80    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   41    37    40    60.00000  123.20500
   41    44    49    60.00000  120.93500
   41    44    81    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    49    50    35.00000  120.00000
   44    49    53    63.00000  120.00000
   44    81    70    63.00000  120.00000
   44    81    38    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    63    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    63    64    35.00000  120.00000
   53    63    70    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    81    63.00000  120.00000
   63    70    82    70.00000  120.00000
   70    63    64    35.00000  120.00000
   70    81    38    60.00000  119.52600
   70    82    87   100.00000  112.36700
   81    44    49    63.00000  120.00000
   81    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    52    75.00000  112.82000
   82    70    81    70.00000  120.00000
   82    87    88    35.00000  109.50000
   82    87    89    90.00000  108.56700
   82    87   102    92.60000  111.55000
   87    89    90    45.00000  108.72000
   87    89    91    45.00000  108.72000
   87    89    92    75.00000  109.43000
   87   102    98    60.00000  109.50000
   89    87    88    45.00000  112.01100
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    96    50.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    98    58.35000  112.70000
   92    94   100    50.00000  109.50000
   92    96    97    55.00000  108.50000
   94    92    93    37.50000  110.70000
   94    98    99    37.50000  110.70000
   94    98   102    50.00000  109.50000
   94    98   103    58.35000  112.70000
   94   100   101    55.00000  108.50000
   98    94    95    37.50000  110.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    37.50000  110.70000
  102    87    88    35.00000  109.50000
  102    87    89    90.00000  108.56700
  102    98    99    35.00000  109.50000
  103    98    99    37.50000  110.70000
  103    98   102    50.00000  109.50000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  100    94    95    35.00000  109.50000
  100    94    98    50.00000  109.50000
   96    92    93    35.00000  109.50000
   96    92    94    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
    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
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  103    98   102    87   0.28050  1.0 3.0
  100    94    98    99   0.23400  1.0 3.0
  100    94    98   102   3.69350  1.0 1.0
  100    94    98   102  -1.82950 -1.0 2.0
  100    94    98   103   0.86500  1.0 1.0
  100    94    98   103  -0.17500 -1.0 2.0
  100    94    98   103   0.20800  1.0 3.0
   96    92    94    95   0.23400  1.0 3.0
   96    92    94    98   0.86500  1.0 1.0
   96    92    94    98  -0.17500 -1.0 2.0
   96    92    94    98   0.20800  1.0 3.0
   96    92    94   100   3.75450  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
   33    40    37    41   1.10000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   51    46    45    43   1.10000 -1.0 2.0
   55    57    51    45   4.00000 -1.0 2.0
   65    56    55    51   1.10000 -1.0 2.0
   55    71    65    40   4.00000 -1.0 2.0
   61    73    66    67  10.50000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   49    81    44    41   4.00000 -1.0 2.0
   53    50    49    44   1.10000 -1.0 2.0
   63    54    53    49   1.10000 -1.0 2.0
   70    64    63    53   1.10000 -1.0 2.0
   81    82    70    63   4.00000 -1.0 2.0
   70    38    81    44   4.00000 -1.0 2.0
   33    81    38    39  10.50000 -1.0 2.0
END
