* LIGAND DATABASE FILE (OPLS2005)
*
001     120   124    223    345     638
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056   104.42232     5.89914
    3     1 S   H    _H1_     3     1.02159    44.48319   108.00494
    4     1 S   H    _H2_     4     1.02119    68.52495   -98.83044
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C37    36     1.81477    98.38921   161.82645
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5BC _C15    37     1.48767   110.27806   -59.97202
   38    33 S   CM   _C34    84     1.54639   111.23121    53.45600
   39    33 S   OH   _O39   119     1.41990   112.43281   177.30630
   40    39 S   HO   _H38   120     0.97137   106.86274  -176.90244
   41    37 S   C5BC _C14    38     1.42649   141.77502   -64.97253
   42    38 S   CMA  _C35    85     1.33874   126.36279    66.81843
   43    42 S   OM   _O37    86     1.27431   124.58049   176.81986
   44    41 S   C5A  _C13    39     1.48456   103.44411  -178.62898
   45    42 S   OS   _O38    87     1.42367   110.18625    -3.18617
   46    41 S   CT   _C38   115     1.46984   127.71016    -0.81084
   47    46 S   HC   _H39   116     1.09859   110.96018  -179.98022
   48    46 S   HC   _H40   117     1.09836   111.03601    60.30688
   49    46 S   HC   _H41   118     1.09806   110.92386   -59.85113
   50    44 S   NA   _N5_    40     1.29466   111.02101     0.70969
   51    50 S   H    _H18    41     1.01661   128.90419   179.32652
   52    45 S   CT   _C36    88     1.42687   116.33971  -180.00000
   53    52 S   HC   _H35    89     1.09224   109.56944   179.98022
   54    52 S   HC   _H36    90     1.09339   109.49189    59.25440
   55    52 S   HC   _H37    91     1.09277   108.97513   -60.35764
   56    44 S   CT   _C12    92     1.48266   127.90025   179.91607
   57    56 S   HC   _H16    93     1.09381   110.71845   -44.93219
   58    56 S   HC   _H17    94     1.09407   110.75703  -166.73067
   59    37 S   C5A  _C16    42     1.33766   112.46117   117.11261
   60    56 S   C5A  _C7_    95     1.49077   107.76540    74.48794
   61    59 S   CM   _C17    43     1.43274   110.94442     0.30001
   62    60 S   C5BC _C6_    96     1.35116   130.21008  -120.33392
   63    61 S   CM   _C18    44     1.33872   125.22112  -178.65303
   64    62 S   C5BC _C9_    97     1.47289   107.25258   179.96574
   65    62 S   CT   _C5_   108     1.48669   129.90442     0.02798
   66    65 S   HC   _H9_   109     1.09541   108.80449    31.45619
   67    65 S   HC   _H10   110     1.09585   108.42339   148.95367
   68    63 S   CT   _C19    45     1.50863   124.32850     0.03426
   69    68 S   HC   _H3_    46     1.09727   111.52075   -41.67330
   70    64 S   C5A  _C8_    98     1.34717   106.52051    -0.03426
   71    64 S   CT   _C10   104     1.48578   123.00843   179.87967
   72    71 S   HC   _H12   105     1.09303   110.17611    90.02720
   73    71 S   HC   _H13   106     1.09262   110.22314   -30.11333
   74    71 S   HC   _H14   107     1.09267   110.20931  -149.80099
   75    65 S   CT   _C4_   111     1.51719   110.69009   -90.01925
   76    75 S   HC   _H6_   112     1.09375   110.68328   -59.47527
   77    75 S   HC   _H7_   113     1.09489   110.88408  -179.74744
   78    75 S   HC   _H8_   114     1.09515   110.98125    60.70319
   79    68 S   CT   _C20    47     1.53380   101.44849  -160.54831
   80    79 S   HC   _H4_    48     1.09474   112.78295  -133.69133
   81    68 S   CT   _C31    75     1.52771   111.35440    80.53401
   82    81 S   HC   _H31    76     1.08648   107.90855   -39.94921
   83    81 S   HC   _H32    77     1.08794   106.78694    76.10070
   84    60 S   NA   _N4_    99     1.40393   120.77553    59.62475
   85    84 S   H    _H11   100     1.01702   126.19340     0.01978
   86    70 S   CO4  _C11   101     1.45546   127.47648   180.00000
   87    86 S   O    _O33   102     1.22953   122.92252   179.98022
   88    86 S   HC   _H15   103     1.10687   115.53525    -0.00000
   89    79 S   CD   _C21    49     1.50819   100.13497   -16.52007
   90    79 S   CT   _C30    71     1.52304   112.64590   100.60317
   91    90 S   HC   _H28    72     1.08961   110.04992   -53.01016
   92    90 S   HC   _H29    73     1.09042   109.97410  -172.95909
   93    90 S   HC   _H30    74     1.09022   109.98727    67.00741
   94    81 S   CT   _C32    78     1.51427   111.61035  -163.63559
   95    94 S   HC   _H33    79     1.09801   107.43929   -59.63544
   96    94 S   HC   _H34    80     1.09687   110.26508    56.62837
   97    63 S   NI   _N6_    50     1.37375   123.33775  -177.87625
   98    89 S   CT   _C22    51     1.49427   121.30360  -168.75001
   99    98 S   HC   _H19    52     1.09400   108.39678  -149.97193
  100    98 S   HC   _H20    53     1.09341   108.00451   -32.50825
  101    94 S   CO3  _C33    81     1.53310   116.99721  -178.77028
  102   101 S   O2Z  _O36    82     1.26147   116.51667   179.81977
  103   101 S   O2Z  _O35    83     1.26591   114.16601    -0.82258
  104    98 S   CT   _C23    54     1.51387   110.44136    88.54560
  105   104 S   HC   _H5_    55     1.09499   110.95944   -53.41650
  106   104 S   CM   _C24    56     1.50628   113.92232  -179.91377
  107   106 S   CM   _C25    57     1.34367   112.65427  -118.18924
  108   106 S   CT   _C29    67     1.49299   119.46152    63.11398
  109   108 S   HC   _H25    68     1.08950   109.78840   -91.49837
  110   108 S   HC   _H26    69     1.08975   109.85777   148.35655
  111   108 S   HC   _H27    70     1.09057   109.82078    28.67825
  112   107 S   C    _C26    58     1.48306   106.73902    -0.60813
  113   112 S   O    _O34    59     1.21925   125.43195  -179.52605
  114   107 S   CM   _C27    62     1.42808   130.02446  -179.83449
  115   114 S   HC   _H22    63     1.09743   120.33893   140.04578
  116   104 S   N    _N7_    60     1.43790   111.14684    66.92902
  117   116 S   H    _H21    61     1.01567   123.55591   -59.94027
  118   114 S   CM   _C28    64     1.35102   120.06650   -39.95883
  119   118 S   HC   _H23    65     1.08455   121.08819  -179.98022
  120   118 S   HC   _H24    66     1.08511   121.31751    -0.03956
  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   9   5   4   3
  14   2   1   1  16  13   5   1  13   9   3  14   5   6   2   1
   1   8   3   3   2   1   1  10   4   3   4  11   7  16  12  14
   9   5   4  17   9   9   5   2   1   1   3   2   1   1  15   8
  11   5   4   4   1   2   1   1  12   5   2   1   1   5   4   3
   4  10   5   4   2   1   1  12   6  12  13   6   2   1   1   6
   3   5   3   1   1   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    59    61    38    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    50    59    61    63    38    42    43    45    46    39    40  
   35    36  
   36  
    0  
   41    44    50    51    59    61    63    38    42    56    46    47    48    49    39    40  
   42    43    45    52    39    40    41    50    59    61    63    68    97  
   40    41    42    59    61  
    0  
   44    50    51    59    61    56    57    58    60    46    47    48    49  
   43    45    52    53    54    55    59    61    63  
   45    52    61  
   50    51    59    61    56    57    58    60    62    84    46    47    48    49  
   52    53    54    55    61  
   47    48    49    50    56    59  
   48    49  
   49  
    0  
   51    59    61    63    56    57    58    60  
   59    61    56  
   53    54    55  
   54    55  
   55  
    0  
   57    58    60    62    64    70    84    85    65    59  
   58    60    62    84  
   60    62    84  
   61    63    68    97  
   62    64    70    84    85    86    71    65    66    67    75  
   63    68    69    79    89    97    81  
   64    70    84    85    86    71    72    73    74    65    66    67    75    76    77    78  
   68    69    79    80    89    97    98    90    81    82    83    94  
   70    84    85    86    87    88    71    72    73    74    65    66    67    75  
   66    67    75    76    77    78    70    71    84  
   67    75    76    77    78  
   75    76    77    78  
   69    79    80    89    97    98    90    91    92    93    81    82    83    94    95    96   101  
   79    80    89    97    90    81    82    83    94  
   84    85    86    87    88    71    72    73    74  
   72    73    74    84    86  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    89    97    98    99   100   104    90    91    92    93    81    82    83    94  
   89    97    98    90    91    92    93    81  
   82    83    94    95    96   101   102   103    89    90    97  
   83    94    95    96   101  
   94    95    96   101  
   85    86    87    88  
   86  
   87    88  
   88  
    0  
   97    98    99   100   104   105   106   116    90    91    92    93  
   91    92    93    97    98  
   92    93  
   93  
    0  
   95    96   101   102   103  
   96   101   102   103  
  101   102   103  
   98    99   100   104  
   99   100   104   105   106   107   112   116   117   108  
  100   104   105   106   116  
  104   105   106   116  
  102   103  
  103  
    0  
  105   106   107   112   113   116   117   114   108   109   110   111  
  106   107   112   116   117   108  
  107   112   113   116   117   114   115   118   108   109   110   111  
  112   113   116   117   114   115   118   119   120   108   109   110   111  
  109   110   111   112   114   116  
  110   111  
  111  
    0  
  113   116   117   114   115   118  
  116   117   114  
  115   118   119   120   116  
  118   119   120  
  117  
    0  
  119   120  
  120  
    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   0.547500   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   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   51   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.008000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   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  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   85   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   88   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   98   3.5000   0.0660  -0.083900   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  104   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  107   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  114   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  115   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  118   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  119   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  120   2.4200   0.0300   0.115000   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   285.000  1.502
   33    38   317.000  1.510
   33    39   320.000  1.410
   37    41   469.000  1.424
   37    59   546.000  1.367
   41    44   546.000  1.367
   41    46   285.000  1.502
   44    50   427.000  1.381
   44    56   295.000  1.489
   50    51   434.000  1.010
   50    59   427.000  1.381
   59    61   375.000  1.423
   61    63   549.000  1.340
   61    38   380.000  1.444
   63    68   317.000  1.510
   63    97   405.000  1.380
   68    69   340.000  1.090
   68    79   268.000  1.529
   68    81   268.000  1.529
   79    80   340.000  1.090
   79    89   270.000  1.508
   79    90   268.000  1.529
   89    97   500.000  1.261
   89    98   270.000  1.508
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   104   268.000  1.529
  104   105   340.000  1.090
  104   106   317.000  1.510
  104   116   337.000  1.449
  106   107   549.000  1.340
  106   108   317.000  1.510
  107   112   410.000  1.444
  107   114   380.000  1.444
  112   113   570.000  1.229
  112   116   490.000  1.335
  116   117   434.000  1.010
  114   115   340.000  1.080
  114   118   549.000  1.340
  118   119   340.000  1.080
  118   120   340.000  1.080
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   317.000  1.522
  101   102   656.000  1.250
  101   103   656.000  1.250
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   440.000  1.360
   45    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   295.000  1.489
   60    62   546.000  1.367
   60    84   427.000  1.381
   62    64   469.000  1.424
   62    65   285.000  1.502
   64    70   546.000  1.367
   64    71   285.000  1.502
   70    84   427.000  1.381
   70    86   335.000  1.450
   84    85   434.000  1.010
   86    87   570.000  1.229
   86    88   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    41    60.00000  130.00000
   33    37    59    60.00000  130.00000
   33    38    61    70.00000  124.00000
   33    38    42    70.00000  124.00000
   33    39    40    55.00000  108.50000
   37    41    44    70.00000  107.30000
   37    41    46    60.00000  130.00000
   37    59    50    70.00000  107.70000
   37    59    61    50.00000  133.16000
   41    44    50    70.00000  107.70000
   41    44    56    50.00000  133.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   44    50    51    35.00000  120.00000
   44    50    59    70.00000  109.80000
   44    56    57    45.00000  110.47400
   44    56    58    45.00000  110.47400
   44    56    60    70.00000  112.04700
   50    59    61    70.00000  120.38000
   59    37    41    70.00000  107.30000
   59    50    51    35.00000  120.00000
   59    61    63    55.00000  128.24000
   59    61    38    55.00000  128.24000
   61    63    68    70.00000  124.00000
   61    63    97    70.00000  120.83400
   61    38    42    70.00000  117.34000
   63    68    69    35.00000  109.50000
   63    68    79    70.00000  112.02700
   63    68    81    70.00000  112.02700
   63    97    89    75.00000  115.77100
   68    79    80    37.50000  110.70000
   68    79    89    70.00000  111.76100
   68    79    90    58.35000  112.70000
   68    81    82    37.50000  110.70000
   68    81    83    37.50000  110.70000
   68    81    94    58.35000  112.70000
   79    68    69    37.50000  110.70000
   79    89    97    65.00000  122.10100
   79    89    98    65.00000  114.98000
   79    90    91    37.50000  110.70000
   79    90    92    37.50000  110.70000
   79    90    93    37.50000  110.70000
   89    79    80    45.00000  109.49600
   89    98    99    45.00000  109.49600
   89    98   100    45.00000  109.49600
   89    98   104    70.00000  111.76100
   97    63    68    65.00000  119.96000
   98    89    97    65.00000  122.10100
   98   104   105    37.50000  110.70000
   98   104   106    70.00000  112.02700
   98   104   116    70.00000  110.72300
  100    98    99    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    37.50000  110.70000
  104   106   107    70.00000  124.00000
  104   106   108    65.00000  117.92700
  104   116   112    50.00000  121.90000
  104   116   117    38.00000  118.40000
  106   104   105    35.00000  109.50000
  106   107   112    70.00000  118.70000
  106   107   114    70.00000  123.01800
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    35.00000  109.50000
  107   112   113    80.00000  125.30000
  107   112   116    80.00000  111.56200
  107   114   115    35.00000  120.00000
  107   114   118    70.00000  123.01800
  112   116   117    35.00000  119.80000
  116   104   105    35.00000  109.50000
  116   104   106    75.00000  110.78400
  116   112   113    80.00000  122.90000
  114   107   112    70.00000  118.70000
  114   118   119    35.00000  120.00000
  114   118   120    35.00000  120.00000
  118   114   115    35.00000  120.00000
  120   118   119    35.00000  117.00000
  108   106   107    70.00000  124.00000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   90    79    80    37.50000  110.70000
   90    79    89    70.00000  111.76100
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   81    68    69    37.50000  110.70000
   81    68    79    58.35000  112.70000
   81    94    95    37.50000  110.70000
   81    94    96    37.50000  110.70000
   81    94   101    70.00000  109.69300
   83    81    82    33.00000  107.80000
   94    81    82    37.50000  110.70000
   94    81    83    37.50000  110.70000
   94   101   102    70.00000  117.00000
   94   101   103    70.00000  117.00000
   96    94    95    33.00000  107.80000
  101    94    95    35.00000  109.50000
  101    94    96    35.00000  109.50000
  103   101   102    80.00000  126.00000
   38    33    37    70.00000  112.99600
   38    61    63    70.00000  123.01800
   38    42    43    65.00000  137.10300
   38    42    45    80.00000  120.01400
   42    45    52    90.00000  111.18400
   45    42    43    65.00000  121.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    44    50    65.00000  122.56900
   56    60    62    50.00000  133.50000
   56    60    84    65.00000  122.56900
   58    56    57    33.00000  107.80000
   60    56    57    45.00000  110.47400
   60    56    58    45.00000  110.47400
   60    62    64    70.00000  107.30000
   60    62    65    60.00000  130.00000
   60    84    70    70.00000  109.80000
   60    84    85    35.00000  120.00000
   62    64    70    70.00000  107.30000
   62    64    71    60.00000  130.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    75    70.00000  112.17500
   64    70    84    70.00000  107.70000
   64    70    86    55.00000  130.80000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   70    84    85    35.00000  120.00000
   70    86    87    80.00000  122.40000
   70    86    88    35.00000  115.00000
   84    60    62    70.00000  107.70000
   86    70    84    70.00000  119.02500
   88    86    87    35.00000  123.00000
   71    64    70    60.00000  130.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    62    64    60.00000  130.00000
   65    75    76    37.50000  110.70000
   65    75    77    37.50000  110.70000
   65    75    78    37.50000  110.70000
   67    65    66    33.00000  107.80000
   75    65    66    37.50000  110.70000
   75    65    67    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   46    41    44    60.00000  130.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  112.51600
   39    33    38    90.00000  110.39200
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
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   56    44    50    51   2.00000 -1.0 2.0
   56    44    50    59   3.62500 -1.0 2.0
   56    60    62    64   3.62500 -1.0 2.0
   56    60    62    65   3.62500 -1.0 2.0
   56    60    84    70   3.62500 -1.0 2.0
   56    60    84    85   2.00000 -1.0 2.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    84   0.00000  1.0 1.0
   58    56    60    62   0.00000  1.0 1.0
   58    56    60    84   0.00000  1.0 1.0
   60    62   -64    70   3.62500 -1.0 2.0
   60    62    64    71   3.62500 -1.0 2.0
   60    62    65    66   0.00000  1.0 1.0
   60    62    65    67   0.00000  1.0 1.0
   60    62    65    75   0.04150 -1.0 2.0
   62    60   -84    70   3.62500 -1.0 2.0
   62    60    84    85   2.00000 -1.0 2.0
   62    64   -70    84   3.62500 -1.0 2.0
   62    64    70    86   3.62500 -1.0 2.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.00000  1.0 1.0
   62    64    71    74   0.00000  1.0 1.0
   62    65    75    76   0.43200  1.0 3.0
   62    65    75    77   0.43200  1.0 3.0
   62    65    75    78   0.43200  1.0 3.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   64    62    65    75   0.04150 -1.0 2.0
   64    70   -84    60   3.62500 -1.0 2.0
   64    70    84    85   2.00000 -1.0 2.0
   64    70    86    87   1.05000 -1.0 2.0
   64    70    86    88   0.56600 -1.0 2.0
   70    64    71    72   0.00000  1.0 1.0
   70    64    71    73   0.00000  1.0 1.0
   70    64    71    74   0.00000  1.0 1.0
   84    60   -62    64   3.62500 -1.0 2.0
   84    60    62    65   3.62500 -1.0 2.0
   84    70    86    87   1.85000 -1.0 2.0
   84    70    86    88   0.56600 -1.0 2.0
   86    70    84    60   3.62500 -1.0 2.0
   86    70    84    85   2.00000 -1.0 2.0
   71    64    70    84   3.62500 -1.0 2.0
   71    64    70    86   3.62500 -1.0 2.0
   65    62    64    70   3.62500 -1.0 2.0
   65    62    64    71   3.62500 -1.0 2.0
   66    65    75    76   0.15000  1.0 3.0
   66    65    75    77   0.15000  1.0 3.0
   66    65    75    78   0.15000  1.0 3.0
   67    65    75    76   0.15000  1.0 3.0
   67    65    75    77   0.15000  1.0 3.0
   67    65    75    78   0.15000  1.0 3.0
   46    41    44    50   3.62500 -1.0 2.0
   46    41    44    56   3.62500 -1.0 2.0
   39    33    37    41   0.14300 -1.0 2.0
   39    33    37    41   0.00300  1.0 3.0
   39    33    37    59   0.14300 -1.0 2.0
   39    33    37    59   0.00300  1.0 3.0
   39    33    38    61  -0.17300  1.0 1.0
   39    33    38    61   0.35150 -1.0 2.0
   39    33    38    61   0.31550  1.0 3.0
   39    33    38    42   0.67800  1.0 1.0
   39    33    38    42   0.47050 -1.0 2.0
   39    33    38    42  -0.62500  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
   41    59    37    33   4.00000 -1.0 2.0
   44    46    41    37   4.00000 -1.0 2.0
   56    50    44    41   4.00000 -1.0 2.0
   51    44    50    59   1.00000 -1.0 2.0
   50    61    59    37   4.00000 -1.0 2.0
   59    38    61    63   1.10000 -1.0 2.0
   68    97    63    61   1.10000 -1.0 2.0
   79    98    89    97  10.50000 -1.0 2.0
  104   108   106   107   1.10000 -1.0 2.0
  112   114   107   106   1.10000 -1.0 2.0
  107   116   112   113  10.50000 -1.0 2.0
  117   112   116   104   1.00000 -1.0 2.0
  107   115   114   118  15.00000 -1.0 2.0
  119   120   118   114  15.00000 -1.0 2.0
  102    94   101   103  10.50000 -1.0 2.0
   33    61    38    42   1.10000 -1.0 2.0
   43    45    42    38   1.10000 -1.0 2.0
   62    84    60    56   4.00000 -1.0 2.0
   64    65    62    60   4.00000 -1.0 2.0
   70    71    64    62   4.00000 -1.0 2.0
   86    84    70    64   4.00000 -1.0 2.0
   85    60    84    70   1.00000 -1.0 2.0
   70    88    86    87  10.50000 -1.0 2.0
END
