* LIGAND DATABASE FILE (OPLS2005)
*
001     116   117    218    333     646
    1     0 S   NP   _N1_     1    28.64461    95.30377   -21.58734
    2     1 S   H    _HN1     2     1.02778    91.96456   -83.25392
    3     1 S   H    _H1_     3     1.02965    84.27792    24.97539
    4     1 S   H    _H2_     4     1.02835    34.29189   157.01614
    5     1 S   CT   _CA1     5     1.50124   144.39569   142.41802
    6     5 S   HC   _HA1     6     1.09580   105.22915    67.80982
    7     5 S   CO3  _C1_     7     1.53786   112.40379   -52.36152
    8     7 S   O2Z  _O11     8     1.26357   115.00132   -43.55166
    9     7 S   O2Z  _O12     9     1.26246   114.91693   135.63314
   10     5 S   CT   _CB1    10     1.53100   107.41850  -174.32473
   11    10 S   HC   HB11    11     1.09825   109.27931   -51.26565
   12    10 S   HC   HB12    12     1.09821   110.42678    65.26340
   13    10 S   CT   _CG1    13     1.53005   112.69573  -172.41237
   14    13 S   HC   HG11    14     1.09603   110.39036   -64.18491
   15    13 S   HC   HG12    15     1.09653   110.02075    55.02315
   16    13 S   C    _CD1    16     1.51817   112.35488   175.31211
   17    16 S   O    _OE1    17     1.22720   123.29050    -3.90445
   18    16 S   N    _N2_    18     1.38633   111.61146   176.45884
   19    18 S   H    _HN2    19     1.01584   119.03032     1.19501
   20    18 S   CT1  _CA2    20     1.46177   123.36198   179.96574
   21    20 S   HC   _HA2    21     1.09717   109.52586    -7.15612
   22    20 S   C    _C2_    22     1.53470   107.96548  -123.05822
   23    22 S   O    _O2_    23     1.23005   122.26488  -144.31548
   24    20 S   CT   _CB2    32     1.53548   111.75040   115.01632
   25    24 S   HC   HB21    33     1.09532   109.36893    59.33193
   26    24 S   HC   HB22    34     1.09305   109.46272   177.61099
   27    22 S   N    _N3_    24     1.38478   113.53387    42.42861
   28    27 S   H    _HN3    25     1.01500   118.98823     0.77808
   29    24 S   S    _SG2    35     1.83254   111.87467   -60.94704
   30    27 S   CT   _CA3    26     1.45420   123.30668   177.34428
   31    30 S   HC   HA31    27     1.09541   109.00665    26.73141
   32    30 S   HC   HA32    28     1.09494   107.08186   143.61458
   33    29 S   CT   _C17    36     1.88248   102.38659  -167.77968
   34    30 S   CO3  _C3_    29     1.52838   113.69014   -96.66851
   35    34 S   O2Z  _O31    30     1.26350   115.64372   -38.13596
   36    34 S   O2Z  _O32    31     1.26388   114.74284   142.99007
   37    33 S   CO4  _C18    37     1.53826   107.25038   -42.36705
   38    37 S   O    _O33    38     1.22899   122.76301   102.70200
   39    33 S   CT   _C26    51     1.56181   109.46725  -159.38204
   40    33 S   CT   _C16    58     1.56327   108.68799    75.43120
   41    40 S   HC   _H24    59     1.09553   110.24538   -60.67647
   42    40 S   HC   _H25    60     1.09924   108.52331  -172.96564
   43    37 S   CA   _C19    39     1.48416   118.37372   -75.61238
   44    39 S   CT   _C27    52     1.53806   113.57741  -175.26774
   45    44 S   HC   _H30    53     1.09459   111.58270    68.32675
   46    44 S   HC   _H31    54     1.09436   112.48484   -54.10982
   47    44 S   HC   _H32    55     1.09718   110.65436  -174.11057
   48    39 S   OH   _O35    56     1.43047   110.68685   -55.07297
   49    48 S   HO   _H33    57     0.97337   108.09872   176.67180
   50    40 S   CM   _C15    61     1.50830   117.37629    66.45547
   51    50 S   HC   _H23    62     1.08873   114.39656    69.91355
   52    43 S   CA   _C20    40     1.40049   119.19878   164.23886
   53    52 S   HA   _H26    41     1.08718   121.15028     0.94128
   54    50 S   CM   _C14    63     1.34754   128.19248  -113.04460
   55    52 S   CA   _C21    42     1.39512   120.06863  -178.31008
   56    55 S   HA   _H27    43     1.08648   119.95839   179.71264
   57    54 S   CT   _C28    64     1.50737   120.08818  -178.74415
   58    57 S   HC   _H34    65     1.09435   110.58126   119.90621
   59    57 S   HC   _H35    66     1.09521   112.37894    -0.21122
   60    57 S   HC   _H36    67     1.09498   110.23752  -120.05795
   61    54 S   CT   _C13    68     1.51159   124.83588     2.67693
   62    61 S   HC   _H21    69     1.09209   110.45747    25.36791
   63    61 S   HC   _H22    70     1.09753   109.02826   140.48044
   64    55 S   CA   _C22    44     1.39327   120.07274     0.00000
   65    64 S   HA   _H28    45     1.08651   119.98135   179.84677
   66    61 S   CT   _C12    71     1.53122   112.15364   -97.54474
   67    66 S   HC   _H19    72     1.09617   110.18261    62.29091
   68    66 S   HC   _H20    73     1.09740   109.55688   -53.84939
   69    64 S   CA   _C23    46     1.39495   120.06635    -0.31959
   70    69 S   HA   _H29    47     1.08713   118.83853  -179.51867
   71    66 S   CT   _C11    74     1.53460   113.10516  -173.79117
   72    71 S   HC   _H17    75     1.09590   107.32064    62.27702
   73    71 S   HC   _H18    76     1.09770   108.06227   176.54725
   74    43 S   CA   _C24    48     1.39557   120.99300   -14.66288
   75    71 S   CT   _C9_    77     1.54359   116.11633   -60.62655
   76    75 S   HC   _H4_    78     1.09667   109.07652    62.67289
   77    74 S   CO4  _C25    49     1.47883   120.61388    -2.82805
   78    77 S   O    _O34    50     1.22838   119.97753   171.42536
   79    75 S   CT   _C10    79     1.53301   111.53099   -56.47513
   80    79 S   HC   _H14    80     1.09523   111.16812   -55.58814
   81    79 S   HC   _H15    81     1.09506   110.98420  -175.63004
   82    79 S   HC   _H16    82     1.09376   111.44348    65.25774
   83    75 S   CT   _C8_    83     1.54566   111.69445  -178.56564
   84    83 S   HC   _H12    84     1.09791   108.61401   175.88477
   85    83 S   HC   _H13    85     1.09751   109.74532    59.68200
   86    83 S   CT   _C7_    86     1.53347   113.78299   -63.22803
   87    86 S   HC   _H10    87     1.09626   109.51018   -53.50890
   88    86 S   HC   _H11    88     1.09359   109.51157    64.40175
   89    86 S   CT   _C6_    89     1.53383   111.17962  -174.84725
   90    89 S   HC   _H8_    90     1.09446   107.92020    52.15146
   91    89 S   HC   _H9_    91     1.09738   109.32476   -63.42604
   92    89 S   CT   _C5_    92     1.54323   113.61156   173.67932
   93    92 S   HC   _H3_    93     1.09766   108.57660   -57.17211
   94    92 S   CT   _C4_    94     1.53338   111.65913    61.30891
   95    94 S   HC   _H5_    95     1.09520   111.20607    56.47661
   96    94 S   HC   _H6_    96     1.09549   110.86065   176.61228
   97    94 S   HC   _H7_    97     1.09405   111.45493   -64.47667
   98    92 S   CT   _C29    98     1.54492   111.83962  -176.34875
   99    98 S   HC   _H37    99     1.09746   109.75219   -58.14592
  100    98 S   HC   _H38   100     1.09780   108.74807  -174.42937
  101    98 S   CT   _C30   101     1.53296   113.66783    64.81942
  102   101 S   HC   _H39   102     1.09514   108.98220    51.41801
  103   101 S   HC   _H40   103     1.09482   110.12615   -66.52632
  104   101 S   CT   _C31   104     1.53240   111.25236   172.77862
  105   104 S   HC   _H41   105     1.09751   109.38277   -62.75340
  106   104 S   HC   _H42   106     1.09771   108.67686    53.31486
  107   104 S   CT   _C32   107     1.54021   113.36775   174.40960
  108   107 S   HC   _H43   108     1.09742   108.68494   -56.87746
  109   107 S   CT   _C33   109     1.52947   112.50601    62.91356
  110   109 S   HC   _H44   110     1.09520   111.25292    55.91788
  111   109 S   HC   _H45   111     1.09545   110.74963   175.98522
  112   109 S   HC   _H46   112     1.09411   111.39232   -64.90527
  113   107 S   CT   _C34   113     1.53063   109.80065  -174.56801
  114   113 S   HC   _H47   114     1.09538   111.28509   -62.02404
  115   113 S   HC   _H48   115     1.09516   110.83348    58.25375
  116   113 S   HC   _H49   116     1.09521   110.83415   177.72574
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  15   5  15  11   4   3  10   8   4   3   2   4
   1  10   3   8   4  11   6   3   7   3   2   1   9   5   4   5
   3   9   5   4   4   2  12   5   4   2  12   8   1   1   7   3
   2   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2
   1   9   5   4   9   5   4  12   5   4   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    77    39    44    48    40    41    42    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    52    74    77    78    39    44    45    46    47    48    49    40    41    42    50    51    54  
   35    36  
   36  
    0  
   38    43    52    53    55    69    74    77    39    44    48    40    41    42    50  
   43    52    74    39    40  
   44    45    46    47    48    49    40    41    42    50    43    69    74    77    78  
   41    42    50    51    54    57    61    43    44    48    77  
   42    50    51    54  
   50    51    54  
   52    53    55    56    64    69    70    74    77    78  
   45    46    47    48    49    74    77    78  
   46    47    48    77  
   47    48    77  
   48    77  
   49    74    77    78  
   77  
   51    54    57    58    59    60    61    62    63    66  
   54    57    61  
   53    55    56    64    65    69    74    77  
   55    56    64    74  
   57    58    59    60    61    62    63    66    67    68    71  
   56    64    65    69    70    74  
   64    65    69  
   58    59    60    61    62    63    66  
   59    60    61  
   60    61  
   61  
   62    63    66    67    68    71    72    73    75  
   63    66    67    68    71  
   66    67    68    71  
   65    69    70    74    77  
   69    70    74  
   67    68    71    72    73    75    76    79    83  
   68    71    72    73    75  
   71    72    73    75  
   70    74    77    78  
   74    77  
   72    73    75    76    79    80    81    82    83    84    85    86  
   73    75    76    79    83  
   75    76    79    83  
   77    78  
   76    79    80    81    82    83    84    85    86    87    88    89  
   79    80    81    82    83    84    85    86  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    98  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98    99   100   101  
   91    92    93    94    98  
   92    93    94    98  
   93    94    95    96    97    98    99   100   101   102   103   104  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106   107   108   109   113  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113   114   115   116  
  106   107   108   109   113  
  107   108   109   113  
  108   109   110   111   112   113   114   115   116  
  109   110   111   112   113   114   115   116  
  110   111   112   113   114   115   116  
  111   112   113  
  112   113  
  113  
  114   115   116  
  115   116  
  116  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   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  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  107   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   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  1.522
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    52   469.000  1.400
   43    74   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    70   367.000  1.080
   69    74   469.000  1.400
   74    77   310.000  1.470
   77    78   570.000  1.229
   77    39   317.000  1.522
   39    44   268.000  1.529
   39    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   317.000  1.510
   54    61   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   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    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   268.000  1.529
  107   113   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    77    63.00000  111.10000
   33    39    44    58.35000  112.70000
   33    39    48    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    50    70.00000  112.02700
   37    43    52    60.00000  119.52600
   37    43    74    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    52    53    35.00000  120.00000
   43    52    55    63.00000  120.00000
   43    74    69    63.00000  120.00000
   43    74    77    60.00000  119.52600
   52    55    56    35.00000  120.00000
   52    55    64    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    64    65    35.00000  120.00000
   55    64    69    63.00000  120.00000
   64    55    56    35.00000  120.00000
   64    69    70    35.00000  120.00000
   64    69    74    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    74    77    60.00000  119.52600
   74    43    52    63.00000  120.00000
   74    69    70    35.00000  120.00000
   74    77    78    75.00000  123.78400
   74    77    39    65.00000  115.47100
   77    39    44    63.00000  111.10000
   77    39    48    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    77    78    80.00000  120.40000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    44    50.00000  109.50000
   40    33    37    63.00000  111.10000
   40    33    39    58.35000  112.70000
   40    50    51    35.00000  117.00000
   40    50    54    70.00000  124.00000
   42    40    41    33.00000  107.80000
   50    40    41    35.00000  109.50000
   50    40    42    35.00000  109.50000
   50    54    57    70.00000  124.00000
   50    54    61    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    66    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    57    65.00000  117.92700
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    58.35000  112.70000
   71    75    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    82    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    58.35000  112.70000
   79    75    76    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    79    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    98    58.35000  112.70000
   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    96    37.50000  110.70000
   92    94    97    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   101    58.35000  112.70000
   94    92    93    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    58.35000  112.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    58.35000  112.70000
  104   107   113    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   109   110    37.50000  110.70000
  107   109   111    37.50000  110.70000
  107   109   112    37.50000  110.70000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  109   107   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   107   108    37.50000  110.70000
  113   107   109    58.35000  112.70000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
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   99    98   101   104   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   103   0.15000  1.0 3.0
  100    98   101   104   0.15000  1.0 3.0
  101   104   107   108   0.15000  1.0 3.0
  101   104   107   109   0.56750  1.0 1.0
  101   104   107   109  -0.07550 -1.0 2.0
  101   104   107   109   0.20000  1.0 3.0
  101   104   107   113   0.56750  1.0 1.0
  101   104   107   113  -0.07550 -1.0 2.0
  101   104   107   113   0.20000  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
  104   107   109   110   0.15000  1.0 3.0
  104   107   109   111   0.15000  1.0 3.0
  104   107   109   112   0.15000  1.0 3.0
  104   107   113   114   0.15000  1.0 3.0
  104   107   113   115   0.15000  1.0 3.0
  104   107   113   116   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   113   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   113   0.15000  1.0 3.0
  108   107   109   110   0.15000  1.0 3.0
  108   107   109   111   0.15000  1.0 3.0
  108   107   109   112   0.15000  1.0 3.0
  108   107   113   114   0.15000  1.0 3.0
  108   107   113   115   0.15000  1.0 3.0
  108   107   113   116   0.15000  1.0 3.0
  109   107   113   114   0.15000  1.0 3.0
  109   107   113   115   0.15000  1.0 3.0
  109   107   113   116   0.15000  1.0 3.0
  113   107   109   110   0.15000  1.0 3.0
  113   107   109   111   0.15000  1.0 3.0
  113   107   109   112   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   52    74    43    37   4.00000 -1.0 2.0
   55    53    52    43   1.10000 -1.0 2.0
   64    56    55    52   1.10000 -1.0 2.0
   69    65    64    55   1.10000 -1.0 2.0
   74    70    69    64   1.10000 -1.0 2.0
   69    77    74    43   4.00000 -1.0 2.0
   74    39    77    78  10.50000 -1.0 2.0
   40    51    50    54  15.00000 -1.0 2.0
   57    61    54    50  15.00000 -1.0 2.0
END
