* 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     1.02029   105.65489   -27.98053
    3     1 S   H    _H1_     3     1.02120    64.41286    75.61777
    4     1 S   H    _H2_     4     1.02093    48.08657  -129.27084
    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     1.81495    98.36006   161.83747
   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     1.48746   110.27903   -60.02490
   38    33 S   CM   _C34    84     1.54556   111.26239    53.48231
   39    33 S   OH   _O39   119     1.42067   112.38374   177.32672
   40    39 S   HO   _H38   120     0.97137   106.84145  -176.91771
   41    37 S   C5BC _C14    38     1.42649   141.81072   -64.91060
   42    38 S   CMA  _C35    85     1.33874   126.37906    66.78336
   43    42 S   OM   _O37    86     1.27322   124.60444    -3.26501
   44    41 S   C5A  _C13    39     1.48456   103.44411  -178.64867
   45    42 S   OS   _O38    87     1.42464   110.20759   176.88517
   46    41 S   CT   _C38   115     1.46984   127.71016    -0.82992
   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     1.42660   116.32831   180.00000
   53    52 S   HC   _H35    89     1.09215   109.51223   180.00000
   54    52 S   HC   _H36    90     1.09274   109.52286    59.11459
   55    52 S   HC   _H37    91     1.09252   108.93455   -60.41775
   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   112.42594   117.15366
   60    56 S   C5A  _C7_    95     1.49077   107.76540    74.48794
   61    59 S   CM   _C17    43     1.43274   110.94442     0.31466
   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     1.51069   124.37643     0.00000
   69    68 S   HC   _H3_    46     1.06382   108.61487    43.02467
   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     1.53778   100.95568   159.43829
   80    79 S   HC   _H4_    48     1.12685   108.43683   -96.47223
   81    68 S   CT   _C31    75     1.52864   110.86852   -77.46762
   82    81 S   HC   _H31    76     1.08717   108.06839   -80.02043
   83    81 S   HC   _H32    77     1.08884   106.95965    36.06719
   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     1.51002   100.37452    17.05666
   90    79 S   CT   _C30    71     1.51831   116.66464   140.51127
   91    90 S   HC   _H28    72     1.09002   109.95664   -57.12874
   92    90 S   HC   _H29    73     1.09007   110.00066  -177.11636
   93    90 S   HC   _H30    74     1.09010   110.00826    62.87900
   94    81 S   CT   _C32    78     1.51539   111.69780   156.30728
   95    94 S   HC   _H33    79     1.09765   107.59336   -59.35430
   96    94 S   HC   _H34    80     1.09795   110.11182    56.93376
   97    63 S   NI   _N6_    50     1.37385   123.20912   177.94215
   98    89 S   CT   _C22    51     1.49469   121.90689   169.85200
   99    98 S   HC   _H19    52     1.09367   108.41422  -149.98012
  100    98 S   HC   _H20    53     1.09328   108.07309   -32.50983
  101    94 S   CO3  _C33    81     1.53296   116.92555  -178.58542
  102   101 S   O2Z  _O36    82     1.26192   116.45576  -180.00000
  103   101 S   O2Z  _O35    83     1.26475   114.18966    -0.70193
  104    98 S   CT   _C23    54     1.51348   110.42014    88.58312
  105   104 S   HC   _H5_    55     1.09552   111.01246   -53.43328
  106   104 S   CM   _C24    56     1.50654   113.97747  -179.96044
  107   106 S   CM   _C25    57     1.34323   112.67054  -118.16526
  108   106 S   CT   _C29    67     1.49354   119.44179    63.07812
  109   108 S   HC   _H25    68     1.08965   109.78150   -91.40402
  110   108 S   HC   _H26    69     1.08990   109.85713   148.37171
  111   108 S   HC   _H27    70     1.09062   109.80073    28.76272
  112   107 S   C    _C26    58     1.48311   106.75514    -0.67666
  113   112 S   O    _O34    59     1.21946   125.45535  -179.58457
  114   107 S   CM   _C27    62     1.42846   130.00653  -179.86583
  115   114 S   HC   _H22    63     1.09794   120.32116   139.99437
  116   104 S   N    _N7_    60     1.43877   111.18779    66.85609
  117   116 S   H    _H21    61     1.01527   123.51151   -59.81991
  118   114 S   CM   _C28    64     1.35042   120.05977   -39.95880
  119   118 S   HC   _H23    65     1.08536   121.06318  -179.93744
  120   118 S   HC   _H24    66     1.08476   121.34271    -0.12195
  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
