* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    220    350     656
    1     0 S   NP   _N1_     1    28.70664    96.46610   -19.94688
    2     1 S   H    _HN1     2     1.02788    75.25201   -55.13868
    3     1 S   H    _H1_     3     1.02954    91.87803    53.29071
    4     1 S   H    _H2_     4     1.02848    43.01576   166.61508
    5     1 S   CT   _CA1     5     1.50079   151.30406  -164.55384
    6     5 S   HC   _HA1     6     1.09586   105.24376    38.57919
    7     5 S   CO3  _C1_     7     1.53753   112.29169   -81.55988
    8     7 S   O2Z  _O11     8     1.26333   115.06593   -48.99187
    9     7 S   O2Z  _O12     9     1.26237   114.80916   130.14583
   10     5 S   CT   _CB1    10     1.53073   107.46337   156.28857
   11    10 S   HC   HB11    11     1.09815   109.22802   -52.45650
   12    10 S   HC   HB12    12     1.09827   110.51159    64.06457
   13    10 S   CT   _CG1    13     1.53000   112.60965  -173.68605
   14    13 S   HC   HG11    14     1.09561   110.22160   -62.77871
   15    13 S   HC   HG12    15     1.09631   110.19673    56.33912
   16    13 S   C    _CD1    16     1.51783   112.17664   176.40125
   17    16 S   O    _OE1    17     1.22742   123.12537   -12.90005
   18    16 S   N    _N2_    18     1.38561   111.74454   167.96710
   19    18 S   H    _HN2    19     1.01605   119.08507    -0.12511
   20    18 S   CT1  _CA2    20     1.46297   123.46736  -178.91430
   21    20 S   HC   _HA2    21     1.09736   109.27790   -16.77251
   22    20 S   C    _C2_    22     1.53450   108.42469  -132.42030
   23    22 S   O    _O2_    23     1.23011   122.28527  -147.83854
   24    20 S   CT   _CB2    32     1.53425   111.20593   105.38456
   25    24 S   HC   HB21    33     1.09432   109.29791    53.71268
   26    24 S   HC   HB22    34     1.09491   110.78540   172.31712
   27    22 S   N    _N3_    24     1.38533   113.36695    39.75737
   28    27 S   H    _HN3    25     1.01527   118.87296    -0.73409
   29    24 S   S    _SG2    35     1.82930   111.45869   -68.36568
   30    27 S   CT   _CA3    26     1.45444   123.47948   175.05224
   31    30 S   HC   HA31    27     1.09520   109.27503    23.66260
   32    30 S   HC   HA32    28     1.09496   107.11123   140.67658
   33    29 S   CT   _C27    36     1.87251   100.21565   155.09456
   34    30 S   CO3  _C3_    29     1.52920   113.09851   -99.84004
   35    34 S   O2Z  _O31    30     1.26406   115.40357   -44.25018
   36    34 S   O2Z  _O32    31     1.26355   114.98590   136.69619
   37    33 S   CM   _C17    37     1.55465   110.40054   -69.98935
   38    33 S   CT   _C26    98     1.57617   110.90924   172.11875
   39    33 S   OH   _O36   116     1.42974   105.61589    55.92703
   40    39 S   HO   _H26   117     0.97315   108.24585  -112.14866
   41    37 S   CMA  _C16    38     1.36779   124.70310   127.45080
   42    41 S   OM   _O40    39     1.26764   125.98561   -13.25943
   43    38 S   OH   _O37    99     1.44113   108.94924   -54.09335
   44    43 S   HO   _H27   100     0.97556   106.66519   -45.22841
   45    41 S   CA   _C14    40     1.53590   114.99297   161.20026
   46    45 S   CA   _C13    41     1.41363   121.19952    23.18174
   47    46 S   CA   _C12    42     1.42263   121.66569   179.68225
   48    46 S   CT   _C19    81     1.50248   118.43909     0.76515
   49    48 S   HC   _H22    82     1.09825   107.28261    86.65911
   50    48 S   HC   _H23    83     1.09569   111.97425  -156.28449
   51    47 S   CA   _C11    43     1.40567   118.99397     2.01752
   52    51 S   HA   _H20    44     1.08377   118.07689  -179.22217
   53    47 S   NE   _N8_    72     1.40326   120.69718  -177.24068
   54    37 S   CT   _C18    84     1.52046   111.63125   -58.51518
   55    54 S   HC   _H3_    85     1.09555   110.35491    50.14847
   56    51 S   CA   _C10    45     1.39033   121.17296    -0.40638
   57    53 S   CT   _C31    73     1.45607   118.08325  -133.10662
   58    57 S   HC   _H37    74     1.09548   109.99375   162.69940
   59    57 S   HC   _H38    75     1.09581   111.17356    44.21229
   60    57 S   HC   _H39    76     1.09521   111.55042   -77.74852
   61    53 S   CT   _C32    77     1.45817   115.16821    81.65882
   62    61 S   HC   _H40    78     1.09511   110.25888  -169.66922
   63    61 S   HC   _H41    79     1.09582   110.66545    70.94607
   64    61 S   HC   _H42    80     1.09468   112.06809   -50.19080
   65    54 S   CT   _C20    86     1.52845   108.55167   -66.24519
   66    65 S   HC   _H24    87     1.09778   109.60348   177.94281
   67    65 S   HC   _H25    88     1.09577   109.19671   -66.19387
   68    45 S   CA   _C15    46     1.42050   122.26372  -154.67308
   69    56 S   N    _N5_    49     1.41742   123.85391   179.61235
   70    69 S   H    _H19    50     1.01864   113.85304   179.31329
   71    65 S   CT   _C21    89     1.55887   111.45690    57.75667
   72    71 S   HC   _H4_    90     1.09560   105.86034    68.28322
   73    68 S   OH   _O34    47     1.38033   122.10653     0.32385
   74    73 S   HO   _H21    48     0.97548   107.51721    -5.78422
   75    69 S   C    _C9_    51     1.38776   128.10489    -1.06294
   76    75 S   O    _O33    52     1.22717   127.69376    -0.39565
   77    71 S   CT   _C22    91     1.55859   110.06281  -175.20286
   78    77 S   HC   _H5_    92     1.10114   107.44612   -54.86871
   79    75 S   CT1  _C8_    53     1.51776   111.03525   179.73681
   80    79 S   HC   _H17    54     1.09291   109.35275    61.92458
   81    79 S   HC   _H18    55     1.09293   109.42566   -60.17266
   82    77 S   CMA  _C23    93     1.54127   109.28419    65.41929
   83    82 S   OM   _O39    94     1.26596   110.52354  -139.71269
   84    77 S   NP   _N7_   106     1.55470   109.92869  -168.08531
   85    84 S   H    _H30   107     1.03003   106.48024   -45.75686
   86    79 S   NP   _N4_    56     1.50244   110.74607  -179.12665
   87    86 S   H    _H15    57     1.03054   107.57108   -55.90002
   88    86 S   H    _H16    58     1.03052   107.56560    56.20872
   89    82 S   CM   _C24    95     1.35612   118.61070    36.69878
   90    84 S   CT   _C29   108     1.50973   112.89163    71.09129
   91    90 S   HC   _H31   109     1.09304   108.56930    59.68165
   92    90 S   HC   _H32   110     1.09367   108.19986   179.97202
   93    90 S   HC   _H33   111     1.09048   109.16918   -61.88757
   94    84 S   CT   _C30   112     1.50886   114.43173  -162.71406
   95    94 S   HC   _H34   113     1.09290   108.71108   -58.86431
   96    94 S   HC   _H35   114     1.09219   108.78574    63.56430
   97    94 S   HC   _H36   115     1.09392   108.10901  -178.88988
   98    86 S   CT   _C5_    59     1.51491   118.93972  -179.85463
   99    89 S   CO4  _C25    96     1.49805   121.88151     2.05900
  100    99 S   O    _O35    97     1.23341   117.97823   157.79087
  101    89 S   C    _C28   101     1.49895   118.94316  -177.96394
  102   101 S   O    _O38   102     1.22633   123.13724   -52.05131
  103    98 S   CT   _C4_    60     1.53521   106.26275  -179.95154
  104   103 S   HC   _H6_    61     1.09610   111.38686   -60.15021
  105   103 S   HC   _H7_    62     1.09610   111.38680    60.15859
  106   103 S   HC   _H8_    63     1.09591   110.99455  -180.00000
  107    98 S   CT   _C6_    64     1.53032   109.59738   -61.31849
  108   107 S   HC   _H9_    65     1.09497   111.92115    67.62685
  109   107 S   HC   _H10    66     1.09579   111.42612   -53.41729
  110   107 S   HC   _H11    67     1.09611   110.72196  -173.13699
  111    98 S   CT   _C7_    68     1.53033   109.59402    61.42135
  112   111 S   HC   _H12    69     1.09497   111.92395   -67.63722
  113   111 S   HC   _H13    70     1.09579   111.42644    53.40882
  114   111 S   HC   _H14    71     1.09611   110.72110   173.12756
  115   101 S   N    _N6_   103     1.37545   112.99024   128.28150
  116   115 S   H    _H28   104     1.01526   122.89857     0.10468
  117   115 S   H    _H29   105     1.01331   120.26073   179.80416
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   2   1   1  19  19   6   1  11   4   8   2  13  15  18  11
   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1   1
   9   4   3   5   8   3  12   5   1   1   8   4  16   7   9   5
   4  11   4  10   8  15   5   4   7   7   3   2   1   3   2   1
   1  12   4   1   4   3  11   4   3   2   7   3   2   1   3   2
   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    54    71    99    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    48    54    55    65    71    72    77    89    99   100    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    68    48    49    50    54    55    65    66    67    71    99    38    43    39    40  
   43    44   101    84    39    40    41    54    65    66    67    71    72    77    78    82    89    99   100  
   40    41    43    54    71    99  
    0  
   42    45    46    47    56    68    73    48    54    55    65  
   45    46    68    54  
   44    65    71    72    77    89    99   100  
   71    99  
   46    47    51    56    68    73    74    69    53    48    49    50    54  
   47    51    52    56    68    73    53    57    61    48    49    50    54    55    65  
   51    52    56    68    69    53    57    58    59    60    61    62    63    64    48    49    50    54  
   49    50    54    55    65    66    67    71    51    53    68  
   50    54    55    65  
   54    55    65  
   52    56    68    73    69    70    75    53    57    61  
   56    68    69    53  
   57    58    59    60    61    62    63    64    56  
   55    65    66    67    71    72    77  
   65    66    67    71  
   68    73    74    69    70    75    76    79  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    71    72    77    78    82    99    84  
   67    71    72    77  
   71    72    77  
   73    74    69    70    75  
   70    75    76    79    80    81    86    73  
   75    76    79  
   72    77    78    82    83    89    99   100    84    85    90    94  
   77    78    82    99    84  
   74  
    0  
   76    79    80    81    86    87    88    98  
   79    80    81    86  
   78    82    83    89    99   101    84    85    90    91    92    93    94    95    96    97  
   82    83    89    84    85    90    94  
   80    81    86    87    88    98   103   107   111  
   81    86    87    88    98  
   86    87    88    98  
   83    89    99   100   101   102   115    84    85    90    94  
   89    99   101    84  
   85    90    91    92    93    94    95    96    97    89  
   90    91    92    93    94    95    96    97  
   87    88    98   103   104   105   106   107   108   109   110   111   112   113   114  
   88    98   103   107   111  
   98   103   107   111  
   99   100   101   102   115   116   117  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
  103   104   105   106   107   108   109   110   111   112   113   114  
  100   101   102   115  
  101  
  102   115   116   117  
  115   116   117  
  104   105   106   107   108   109   110   111   112   113   114  
  105   106   107   111  
  106   107   111  
  107   111  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111  
  112   113   114  
  113   114  
  114  
    0  
  116   117  
  117  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   83   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   84   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   85   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
   87   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  115   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  116   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  117   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   465.000  1.376
   37    54   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    46   469.000  1.400
   45    68   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    51   469.000  1.400
   47    53   481.000  1.340
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    68   469.000  1.400
   56    69   360.000  1.404
   68    73   450.000  1.364
   73    74   553.000  0.945
   69    70   434.000  1.010
   69    75   490.000  1.335
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   367.000  1.471
   86    87   434.000  1.010
   86    88   434.000  1.010
   86    98   367.000  1.471
   98   103   268.000  1.529
   98   107   268.000  1.529
   98   111   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   53    57   382.000  1.448
   53    61   382.000  1.448
   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    64   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    38   268.000  1.529
   77    78   340.000  1.090
   77    82   270.000  1.512
   77    84   367.000  1.471
   82    83   745.000  1.250
   82    89   465.000  1.376
   89    99   320.000  1.462
   89   101   410.000  1.444
   99   100   570.000  1.229
   99    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
  101   102   570.000  1.229
  101   115   490.000  1.335
  115   116   434.000  1.010
  115   117   434.000  1.010
   84    85   434.000  1.010
   84    90   367.000  1.471
   84    94   367.000  1.471
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   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    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    54    65.00000  117.92700
   33    38    71    58.35000  112.70000
   33    38    99    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    45    60.00000  123.20500
   37    54    48    70.00000  112.02700
   37    54    55    35.00000  109.50000
   37    54    65    70.00000  112.02700
   41    45    46    60.00000  120.93500
   41    45    68    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    46    47    63.00000  120.00000
   45    46    48    70.00000  120.00000
   45    68    56    63.00000  120.00000
   45    68    73    70.00000  120.00000
   46    47    51    63.00000  120.00000
   46    47    53    70.00000  120.10000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    54    70.00000  112.17500
   47    51    52    35.00000  120.00000
   47    51    56    63.00000  120.00000
   47    53    57    50.00000  120.00000
   47    53    61    50.00000  120.00000
   51    56    68    63.00000  120.00000
   51    56    69    70.00000  119.01900
   56    51    52    35.00000  120.00000
   56    68    73    70.00000  120.00000
   56    69    70    45.00000  118.23600
   56    69    75    65.00000  121.96500
   68    45    46    63.00000  120.00000
   68    73    74    35.00000  113.00000
   69    56    68    70.00000  119.01900
   69    75    76    80.00000  122.90000
   69    75    79    70.00000  116.60000
   75    69    70    35.00000  119.80000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    86    80.00000  111.20000
   79    75    76    80.00000  120.40000
   79    86    87    35.00000  109.50000
   79    86    88    35.00000  109.50000
   79    86    98    75.00000  113.01200
   81    79    80    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    81    35.00000  109.50000
   86    98   103    80.00000  111.20000
   86    98   107    80.00000  111.20000
   86    98   111    80.00000  111.20000
   88    86    87    35.00000  109.50000
   98    86    87    35.00000  109.50000
   98    86    88    35.00000  109.50000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    37.50000  110.70000
   98   107   108    37.50000  110.70000
   98   107   109    37.50000  110.70000
   98   107   110    37.50000  110.70000
   98   111   112    37.50000  110.70000
   98   111   113    37.50000  110.70000
   98   111   114    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107    98   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111    98   103    58.35000  112.70000
  111    98   107    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   53    47    51    70.00000  120.10000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    57    50.00000  115.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   48    46    47    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    65    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    37    41    70.00000  124.00000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    71    58.35000  112.70000
   65    54    55    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    77    58.35000  112.70000
   65    71    38    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    82    70.00000  112.02700
   71    77    84    80.00000  111.20000
   71    38    99    63.00000  111.10000
   71    38    43    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    82    83    85.00000  112.85300
   77    82    89    65.00000  122.18000
   77    84    85    35.00000  109.50000
   77    84    90    75.00000  113.01200
   77    84    94    75.00000  113.01200
   82    77    78    45.00000  110.52000
   82    89    99    60.00000  125.92000
   82    89   101    60.00000  120.04000
   89    82    83    65.00000  137.10300
   89    99   100    80.00000  123.72100
   89    99    38    65.00000  118.62400
   89   101   102    80.00000  125.30000
   89   101   115    80.00000  111.56200
   99    38    43    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    71    72    37.50000  110.70000
   38    71    77    58.35000  112.70000
   38    99   100    80.00000  120.40000
   38    43    44    55.00000  108.50000
  101    89    99    55.00000  123.68000
  101   115   116    35.00000  119.80000
  101   115   117    35.00000  119.80000
  115   101   102    80.00000  122.90000
  117   115   116    35.00000  120.00000
   84    77    78    35.00000  109.50000
   84    77    82    75.00000  110.06800
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   84    94    95    35.00000  109.50000
   84    94    96    35.00000  109.50000
   84    94    97    35.00000  109.50000
   90    84    85    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    84    85    35.00000  109.50000
   94    84    90    75.00000  113.01200
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
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   77    84    90    93   0.15000  1.0 3.0
   77    84    94    95   0.15000  1.0 3.0
   77    84    94    96   0.15000  1.0 3.0
   77    84    94    97   0.15000  1.0 3.0
   78    77    82    83   0.00000  1.0 1.0
   78    77    82    89   0.00000  1.0 1.0
   78    77    84    85   0.13050  1.0 3.0
   78    77    84    90   0.15000  1.0 3.0
   78    77    84    94   0.15000  1.0 3.0
   82    77    84    85   0.17350  1.0 3.0
   82    77    84    90   0.08000 -1.0 2.0
   82    77    84    94   0.08000 -1.0 2.0
   82    89    99   100   1.00000 -1.0 2.0
   82    89    99    38  -0.33500  1.0 1.0
   82    89    99    38   1.06600 -1.0 2.0
   82    89    99    38  -0.14000  1.0 3.0
   82    89   101   102   1.00000 -1.0 2.0
   82    89   101   115   0.49500  1.0 1.0
   82    89   101   115   1.31600 -1.0 2.0
   82    89   101   115  -0.02300  1.0 3.0
   83    82    89    99   7.00000 -1.0 2.0
   83    82    89   101   7.00000 -1.0 2.0
   89    99    38    33   0.65300  1.0 1.0
   89    99    38    33  -0.03850 -1.0 2.0
   89    99    38    33   0.33900  1.0 3.0
   89    99   -38    71   0.65300  1.0 1.0
   89    99   -38    71  -0.03850 -1.0 2.0
   89    99   -38    71   0.33900  1.0 3.0
   89    99    38    43   0.65300  1.0 1.0
   89    99    38    43  -0.03850 -1.0 2.0
   89    99    38    43   0.33900  1.0 3.0
   89   101   115   116   2.56700 -1.0 2.0
   89   101   115   117   2.56700 -1.0 2.0
   99    89   101   102   2.50000 -1.0 2.0
   99    89   101   115   1.50000 -1.0 2.0
   99    38    43    44   0.91850  1.0 1.0
   99    38    43    44   0.57950  1.0 3.0
  100    99    38    33   0.30150 -1.0 2.0
  100    99    38    71   0.30150 -1.0 2.0
  100    99    38    43   0.30150 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33   -37    54   0.46850  1.0 1.0
   38    33   -37    54   0.08550 -1.0 2.0
   38    33   -37    54   0.09800  1.0 3.0
   38    33    39    40  -0.11600  1.0 1.0
   38    33    39    40  -0.09450 -1.0 2.0
   38    33    39    40   0.21250  1.0 3.0
   38    71    77    78   0.15000  1.0 3.0
   38    71   -77    82   0.34400  1.0 1.0
   38    71   -77    82   0.09450 -1.0 2.0
   38    71   -77    82   0.11100  1.0 3.0
   38    71    77    84   1.36600  1.0 1.0
   38    71    77    84  -0.11450 -1.0 2.0
   38    71    77    84   0.24250  1.0 3.0
  101    89    99   100   2.50000 -1.0 2.0
  101    89    99    38   1.50000 -1.0 2.0
  102   101   115   116   2.45000 -1.0 2.0
  102   101   115   117   2.45000 -1.0 2.0
   84    77    82    83   0.09700  1.0 1.0
   84    77    82    83   0.15600 -1.0 2.0
   84    77    82    83  -0.50800  1.0 3.0
   84    77    82    89   0.80850  1.0 1.0
   84    77    82    89  -0.47300 -1.0 2.0
   84    77    82    89  -0.52300  1.0 3.0
   85    84    90    91   0.13050  1.0 3.0
   85    84    90    92   0.13050  1.0 3.0
   85    84    90    93   0.13050  1.0 3.0
   85    84    94    95   0.13050  1.0 3.0
   85    84    94    96   0.13050  1.0 3.0
   85    84    94    97   0.13050  1.0 3.0
   90    84    94    95   0.15000  1.0 3.0
   90    84    94    96   0.15000  1.0 3.0
   90    84    94    97   0.15000  1.0 3.0
   94    84    90    91   0.15000  1.0 3.0
   94    84    90    92   0.15000  1.0 3.0
   94    84    90    93   0.15000  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    54   0.18000  1.0 1.0
   39    33    37    54   0.16450 -1.0 2.0
   39    33    37    54   0.04450  1.0 3.0
   39    33    38    71   0.86500  1.0 1.0
   39    33    38    71  -0.17500 -1.0 2.0
   39    33    38    71   0.20800  1.0 3.0
   39    33    38    99  -0.09450  1.0 1.0
   39    33    38    99  -1.12950 -1.0 2.0
   39    33    38    99   0.54000  1.0 3.0
   39    33    38    43   3.75450  1.0 1.0
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    54    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   46    68    45    41   4.00000 -1.0 2.0
   47    48    46    45   4.00000 -1.0 2.0
   51    53    47    46   4.00000 -1.0 2.0
   56    52    51    47   1.10000 -1.0 2.0
   68    69    56    51   4.00000 -1.0 2.0
   56    73    68    45   4.00000 -1.0 2.0
   70    75    69    56   1.00000 -1.0 2.0
   69    79    75    76  10.50000 -1.0 2.0
   61    47    53    57   1.00000 -1.0 2.0
   77    83    82    89   1.10000 -1.0 2.0
   99   101    89    82   1.10000 -1.0 2.0
   89    38    99   100  10.50000 -1.0 2.0
   89   115   101   102  10.50000 -1.0 2.0
  117   101   115   116   1.00000 -1.0 2.0
END
