* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    215    308     621
    1     0 S   NP   _N1_     1    29.65764    98.11408   -17.92180
    2     1 S   H    _HN1     2     1.02753    71.62726   -77.67661
    3     1 S   H    _H1_     3     1.02957    80.85490    35.41930
    4     1 S   H    _H2_     4     1.02819    55.24213   153.40710
    5     1 S   CT   _CA1     5     1.50285   165.00460   174.08699
    6     5 S   HC   _HA1     6     1.09577   105.01597    41.34252
    7     5 S   CO3  _C1_     7     1.53928   112.56443   -78.12885
    8     7 S   O2Z  _O11     8     1.26361   115.05591   -28.25572
    9     7 S   O2Z  _O12     9     1.26198   115.13395   150.12587
   10     5 S   CT   _CB1    10     1.53094   107.23992   159.21245
   11    10 S   HC   HB11    11     1.09820   109.43845   -46.32209
   12    10 S   HC   HB12    12     1.09780   110.26876    70.20849
   13    10 S   CT   _CG1    13     1.52894   112.77179  -167.28252
   14    13 S   HC   HG11    14     1.09431   110.51222   -63.26276
   15    13 S   HC   HG12    15     1.09577   109.85293    55.97691
   16    13 S   C    _CD1    16     1.51705   112.63162   175.62010
   17    16 S   O    _OE1    17     1.22722   123.31530    -8.52263
   18    16 S   N    _N2_    18     1.38612   111.54766   172.62554
   19    18 S   H    _HN2    19     1.01750   119.03256    -0.67260
   20    18 S   CT1  _CA2    20     1.46071   123.48111   177.82894
   21    20 S   HC   _HA2    21     1.09710   109.25837   -14.61290
   22    20 S   C    _C2_    22     1.53565   108.39968  -130.18125
   23    22 S   O    _O2_    23     1.23059   122.22102  -153.97178
   24    20 S   CT   _CB2    32     1.53420   111.72776   107.82204
   25    24 S   HC   HB21    33     1.09495   109.97394    55.65272
   26    24 S   HC   HB22    34     1.09527   110.39919   173.32415
   27    22 S   N    _N3_    24     1.38344   113.74215    33.07319
   28    27 S   H    _HN3    25     1.01642   119.33284    -1.90166
   29    24 S   S    _SG2    35     1.83200   112.56991   -67.99150
   30    27 S   CT   _CA3    26     1.45274   123.34514   178.01495
   31    30 S   HC   HA31    27     1.09527   107.39386   -72.39029
   32    30 S   HC   HA32    28     1.09547   108.26458    44.12003
   33    29 S   CT   _C22    36     1.85222    99.90079   130.64950
   34    33 S   HC   _H9_    37     1.09653   106.65931    42.29585
   35    30 S   CO3  _C3_    29     1.52937   113.92041   166.69552
   36    35 S   O2Z  _O31    30     1.26367   115.99907    13.15391
   37    35 S   O2Z  _O32    31     1.26421   114.48034  -166.93536
   38    33 S   CM   _C21    38     1.51467   107.34495   158.45747
   39    38 S   CM   _C20    39     1.34156   124.74702   107.83344
   40    39 S   HC   _H20    40     1.08417   122.07905   176.87764
   41    38 S   OH   _O36   118     1.38525   114.13260   -75.22002
   42    41 S   HO   _H25   119     0.97262   108.54871  -179.31158
   43    39 S   CD   _C19    41     1.48138   120.65038    -0.94108
   44    43 S   CO4  _C26    42     1.50926   115.14273   -10.46567
   45    44 S   O    _O35    43     1.22042   120.28911  -138.93426
   46    43 S   NI   _N4_    75     1.29856   120.32177   168.18405
   47    33 S   CT   _C23    44     1.54548   110.19515   -76.81241
   48    47 S   HC   _H21    45     1.09179   108.92960    32.04378
   49    47 S   CT   _C24    46     1.55795   115.74786   153.90358
   50    49 S   HC   _H10    47     1.09925   109.50671   147.54212
   51    49 S   CT   _C5_    48     1.56364   110.82329   -93.44074
   52    51 S   HC   _H3_    49     1.09711   108.02109    46.32570
   53    49 S   OS   _O34   113     1.43268   108.92573    27.33732
   54    51 S   CT   _C6_    50     1.55531   110.28377   -73.48902
   55    54 S   HC   _H14    51     1.09169   107.84873   -67.23228
   56    54 S   HC   _H15    52     1.09337   109.35983    47.33084
   57    51 S   CT   _C4_   109     1.53660   111.87606   163.47662
   58    57 S   HC   _H11   110     1.09499   111.12793    63.14007
   59    57 S   HC   _H12   111     1.09456   111.42520   -57.87625
   60    57 S   HC   _H13   112     1.09330   111.71082  -176.30218
   61    53 S   CT   _C25   114     1.42134   113.57326   127.14871
   62    61 S   HC   _H22   115     1.09312   108.25595   177.21779
   63    61 S   HC   _H23   116     1.09327   111.20000    57.95041
   64    61 S   HC   _H24   117     1.09128   110.32599   -64.25474
   65    54 S   CT   _C7_    53     1.54407   114.16030   168.06506
   66    65 S   HC   _H4_    54     1.09261   110.33583    49.31239
   67    65 S   CT   _C8_    55     1.55826   114.42465   173.26454
   68    67 S   HC   _H5_    56     1.09787   107.58799   154.53138
   69    65 S   OS   _O41   104     1.44376   105.16455   -67.76611
   70    67 S   CT   _C9_    57     1.56034   115.57696   -85.52829
   71    70 S   HC   _H6_    58     1.09269   107.68729   174.90080
   72    67 S   OS   _O40    99     1.43762   108.50479    38.73046
   73    69 S   CT   _C33   105     1.42206   113.00850   147.92944
   74    73 S   HC   _H43   106     1.09257   108.34229   179.26219
   75    73 S   HC   _H44   107     1.09314   111.24758    60.02382
   76    73 S   HC   _H45   108     1.09426   110.24332   -62.40369
   77    70 S   CM   _C10    59     1.51140   113.74866    53.73614
   78    77 S   HC   _H16    60     1.09057   113.65424   -74.15670
   79    70 S   CT   _C31    95     1.53470   111.20541   -69.86507
   80    79 S   HC   _H37    96     1.09480   112.38111    66.28866
   81    79 S   HC   _H38    97     1.09531   110.70553   -54.53168
   82    79 S   HC   _H39    98     1.09622   110.63712  -173.61181
   83    72 S   CT   _C32   100     1.42141   113.62202   148.65449
   84    83 S   HC   _H40   101     1.09286   108.32940   177.84478
   85    83 S   HC   _H41   102     1.09260   111.53204    58.95440
   86    83 S   HC   _H42   103     1.09380   110.21261   -63.65938
   87    77 S   CM   _C11    61     1.34982   129.24848   105.36962
   88    87 S   CT   _C12    62     1.53021   118.83289  -177.58808
   89    88 S   HC   _H7_    63     1.09970   109.02019     6.37624
   90    87 S   CT   _C30    91     1.50384   124.36375     2.67635
   91    90 S   HC   _H34    92     1.09499   110.39244   131.64592
   92    90 S   HC   _H35    93     1.09149   113.54574    12.38125
   93    90 S   HC   _H36    94     1.09368   110.47314  -108.21810
   94    88 S   CT   _C13    64     1.55900   114.24546   125.72267
   95    94 S   HC   _H8_    65     1.09565   108.40687   -41.69266
   96    88 S   OS   _O38    85     1.44999   108.66939  -112.40959
   97    94 S   CM   _C14    66     1.51318   109.25439  -163.54632
   98    97 S   HC   _H17    67     1.09034   114.68532   -53.50753
   99    94 S   OS   _O37    80     1.43514   108.99336    78.24037
  100    96 S   CO4  _C29    86     1.36057   117.95717    88.74970
  101   100 S   O    _O39    87     1.22499   125.90096     0.17017
  102    97 S   CM   _C15    68     1.34327   129.10303   125.91674
  103   102 S   HC   _H18    69     1.08705   115.76001  -178.47787
  104    99 S   CT   _C28    81     1.42160   113.38969  -157.87689
  105   104 S   HC   _H29    82     1.09336   108.13786  -179.55107
  106   104 S   HC   _H30    83     1.09202   110.39443    62.10970
  107   104 S   HC   _H31    84     1.09338   111.22954   -60.66446
  108   100 S   N    _N5_    88     1.36880   110.06356  -179.89165
  109   108 S   H    _H32    89     1.01317   121.05354   179.96574
  110   108 S   H    _H33    90     1.01331   120.95202     0.15702
  111   102 S   CM   _C16    70     1.44898   127.49022     2.94105
  112   111 S   HC   _H19    71     1.08846   116.12821     3.55798
  113   111 S   CM   _C17    72     1.34705   125.41923  -176.66739
  114   113 S   C    _C18    73     1.49623   115.82394  -178.17673
  115   114 S   O    _O33    74     1.22518   121.81258    51.67523
  116   113 S   CT   _C27    76     1.49961   128.03839    -0.67897
  117   116 S   HC   _H26    77     1.09412   110.63067   102.79915
  118   116 S   HC   _H27    78     1.09252   113.09297   -18.57331
  119   116 S   HC   _H28    79     1.09583   110.31221  -137.55963
  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
  15   7   2   1   1  10   9   4   3   1   9   9   4   6   9   4
  16   6  14   9   6  14   6   5   4   2   1   1   3   2   1   1
  14   6  17   7   6  12   8   6   3   2   1   1  14   4   4   2
   1   1   3   2   1   1  12  16   7   5   2   1   1  13   6   7
   8   4   5   4   3   6   3   3   2   1   1   2   1   1   8   3
   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    47    48    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    47    48    49    50    51    53    41    42  
   38    39    44    47    48    49    41  
   36    37  
   37  
    0  
   39    40    43    44    47    48    49    46    41    42  
   40    43    44    45    47   114    46    41    42  
   43    44    46    41  
   42    43    47  
    0  
   44    45    47    48    49   113   114   115    46  
   45    47    48    49    50    51   114    46    53  
   47    48    49    46  
  116    47   111   113   114   115  
   48    49    50    51    52    54    57    53    61  
   49    50    51    53  
   50    51    52    54    55    56    65    57    58    59    60    53    61    62    63    64  
   51    52    54    57    53    61  
   52    54    55    56    65    66    67    69    57    58    59    60    53    61  
   54    55    56    65    57    58    59    60    53  
   61    62    63    64    54    57  
   55    56    65    66    67    68    70    72    69    73    57    58    59    60  
   56    65    66    67    69    57  
   65    66    67    69    57  
   58    59    60    65  
   59    60  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    70    71    77    79    72    83    69    73    74    75    76  
   67    68    70    72    69    73  
   68    70    71    77    78    87    79    80    81    82    72    83    84    85    86    69    73  
   70    71    77    79    72    83    69  
   73    74    75    76    70    72  
   71    77    78    87    88    90    79    80    81    82    72    83  
   77    78    87    79    80    81    82    72  
   83    84    85    86    77    79  
   74    75    76  
   75    76  
   76  
    0  
   78    87    88    89    94    96    90    91    92    93    79    80    81    82  
   87    88    90    79  
   80    81    82    87  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   88    89    94    95    97    99    96   100    90    91    92    93  
   89    94    95    97    98   102    99   104    96   100   101   108    90    91    92    93  
   94    95    97    99    96   100    90  
   91    92    93    94    96  
   92    93  
   93  
    0  
   95    97    98   102   103   111    99   104   105   106   107    96   100  
   97    98   102    99   104    96  
  100   101   108   109   110    97    99  
   98   102   103   111   112   113    99   104  
  102   103   111    99  
  104   105   106   107   102  
  101   108   109   110  
  108   109   110  
  103   111   112   113   114   116  
  111   112   113  
  105   106   107  
  106   107  
  107  
    0  
  109   110  
  110  
    0  
  112   113   114   115   116   117   118   119  
  113   114   116  
  114   115   116   117   118   119  
  115   116   117   118   119  
  116  
  117   118   119  
  118   119  
  119  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.393000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
  109   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
  110   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
  111   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  114   3.7500   0.1050   0.401700   2.1120   1.8750   0.001000000  -0.126889456
  115   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   549.000  1.340
   38    41   510.000  1.338
   39    40   340.000  1.080
   39    43   320.000  1.464
   43    44   275.000  1.494
   43    46   500.000  1.261
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   320.000  1.410
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   320.000  1.410
   70    71   340.000  1.090
   70    77   317.000  1.510
   70    79   268.000  1.529
   77    78   340.000  1.080
   77    87   549.000  1.340
   87    88   317.000  1.510
   87    90   317.000  1.510
   88    89   340.000  1.090
   88    94   268.000  1.529
   88    96   320.000  1.410
   94    95   340.000  1.090
   94    97   317.000  1.510
   94    99   320.000  1.410
   97    98   340.000  1.080
   97   102   549.000  1.340
  102   103   340.000  1.080
  102   111   380.000  1.444
  111   112   340.000  1.080
  111   113   549.000  1.340
  113   114   410.000  1.444
  113   116   317.000  1.510
  114   115   570.000  1.229
  114    46   415.000  1.368
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
   99   104   320.000  1.410
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   96   100   214.000  1.327
  100   101   570.000  1.229
  100   108   435.000  1.380
  108   109   434.000  1.010
  108   110   434.000  1.010
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    43    60.00000  120.31500
   38    41    42    70.00000  107.45700
   39    43    44    65.00000  118.96000
   39    43    46    70.00000  121.86000
   43    39    40    40.00000  114.85300
   43    44    45    75.00000  122.07900
   43    44    47    60.00000  115.38000
   43    46   114    80.00000  110.69000
   44    47    48    35.00000  109.50000
   44    47    49    63.00000  111.10000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    44    45    80.00000  120.40000
   47    49    50    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    53    50.00000  109.50000
   49    47    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    51    57    58.35000  112.70000
   49    53    61    60.00000  109.50000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    65    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    58.35000  112.70000
   54    65    69    50.00000  109.50000
   56    54    55    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    70    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    69    73    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    77    70.00000  112.02700
   67    70    79    58.35000  112.70000
   67    72    83    60.00000  109.50000
   70    67    68    37.50000  110.70000
   70    77    78    35.00000  117.00000
   70    77    87    70.00000  124.00000
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    82    37.50000  110.70000
   77    70    71    35.00000  109.50000
   77    87    88    70.00000  124.00000
   77    87    90    70.00000  124.00000
   87    77    78    35.00000  120.00000
   87    88    89    35.00000  109.50000
   87    88    94    70.00000  112.02700
   87    88    96    85.00000  110.90400
   87    90    91    35.00000  109.50000
   87    90    92    35.00000  109.50000
   87    90    93    35.00000  109.50000
   88    94    95    37.50000  110.70000
   88    94    97    70.00000  112.02700
   88    94    99    50.00000  109.50000
   88    96   100    83.00000  116.90000
   94    88    89    37.50000  110.70000
   94    97    98    35.00000  117.00000
   94    97   102    70.00000  124.00000
   94    99   104    60.00000  109.50000
   97    94    95    35.00000  109.50000
   97   102   103    35.00000  120.00000
   97   102   111    70.00000  123.01800
  102    97    98    35.00000  120.00000
  102   111   112    35.00000  120.00000
  102   111   113    70.00000  123.01800
  111   102   103    35.00000  120.00000
  111   113   114    70.00000  118.70000
  111   113   116    70.00000  124.00000
  113   111   112    35.00000  120.00000
  113   114   115    80.00000  125.30000
  113   114    46    75.00000  112.93000
  113   116   117    35.00000  109.50000
  113   116   118    35.00000  109.50000
  113   116   119    35.00000  109.50000
   46    43    44    60.00000  126.98800
   46   114   115    80.00000  126.08800
  116   113   114    70.00000  119.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
   99    94    95    35.00000  109.50000
   99    94    97    85.00000  110.90400
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   107    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   96    88    89    35.00000  109.50000
   96    88    94    50.00000  109.50000
   96   100   101    83.00000  123.40000
   96   100   108   110.00000  108.75700
  100   108   109    50.00000  116.34900
  100   108   110    50.00000  116.34900
  108   100   101    85.00000  125.96000
  110   108   109    35.00000  120.00000
   90    87    88    65.00000  117.92700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    77    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    70    50.00000  109.50000
   72    83    84    35.00000  109.50000
   72    83    85    35.00000  109.50000
   72    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    65    66    35.00000  109.50000
   69    65    67    50.00000  109.50000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    50.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    38    39    80.00000  121.38400
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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   99    94    97   102  -0.55150  1.0 3.0
   96    88    94    95   0.23400  1.0 3.0
   96    88    94    97   0.61850  1.0 1.0
   96    88    94    97  -0.22750 -1.0 2.0
   96    88    94    97   0.15300  1.0 3.0
   96    88    94    99   1.11900  1.0 1.0
   96    88    94    99  -1.16350 -1.0 2.0
   96    88    94    99  -0.34150  1.0 3.0
   96   100   108   109   2.56700 -1.0 2.0
   96   100   108   110   2.56700 -1.0 2.0
  101   100   108   109   2.45000 -1.0 2.0
  101   100   108   110   2.45000 -1.0 2.0
   90    87    88    89   0.34800  1.0 3.0
   90    87    88    94   0.46850  1.0 1.0
   90    87    88    94   0.08550 -1.0 2.0
   90    87    88    94   0.09800  1.0 3.0
   90    87    88    96   0.09700  1.0 1.0
   90    87    88    96   0.15600 -1.0 2.0
   90    87    88    96  -0.50800  1.0 3.0
   79    70    77    78   0.00000  1.0 1.0
   79    70    77    87   0.09850  1.0 1.0
   79    70    77    87   0.15250 -1.0 2.0
   79    70    77    87  -0.50650  1.0 3.0
   72    67    70    71   0.23400  1.0 3.0
   72    67    70    77   0.61850  1.0 1.0
   72    67    70    77  -0.22750 -1.0 2.0
   72    67    70    77   0.15300  1.0 3.0
   72    67    70    79   0.62750  1.0 1.0
   72    67    70    79  -0.30950 -1.0 2.0
   72    67    70    79   0.27300  1.0 3.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    70   0.62750  1.0 1.0
   69    65    67    70  -0.30950 -1.0 2.0
   69    65    67    70   0.27300  1.0 3.0
   69    65    67    72   1.11900  1.0 1.0
   69    65    67    72  -1.16350 -1.0 2.0
   69    65    67    72  -0.34150  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    65   0.56750  1.0 1.0
   57    51    54    65  -0.07550 -1.0 2.0
   57    51    54    65   0.20000  1.0 3.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    54   0.62750  1.0 1.0
   53    49    51    54  -0.30950 -1.0 2.0
   53    49    51    54   0.27300  1.0 3.0
   53    49    51    57   0.62750  1.0 1.0
   53    49    51    57  -0.30950 -1.0 2.0
   53    49    51    57   0.27300  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    46  10.50000 -1.0 2.0
   43    47    44    45  10.50000 -1.0 2.0
   70    78    77    87   1.10000 -1.0 2.0
   88    90    87    77   1.10000 -1.0 2.0
   94    98    97   102   1.10000 -1.0 2.0
  111   103   102    97   1.10000 -1.0 2.0
  102   112   111   113   1.10000 -1.0 2.0
  114   116   113   111   1.10000 -1.0 2.0
  113    46   114   115  10.50000 -1.0 2.0
   96   108   100   101  10.50000 -1.0 2.0
  110   100   108   109   1.00000 -1.0 2.0
END
