COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.334   1.762   0.669  1.00  0.00           C  
HETATM    2  O   UNL     1      12.988   1.963  -0.476  1.00  0.00           O  
HETATM    3  C   UNL     1      14.582   2.415   1.206  1.00  0.00           C  
HETATM    4  C   UNL     1      15.218   3.274   0.112  1.00  0.00           C  
HETATM    5  O   UNL     1      14.340   4.351  -0.220  1.00  0.00           O  
HETATM    6  C   UNL     1      16.549   3.837   0.615  1.00  0.00           C  
HETATM    7  C   UNL     1      17.244   4.593  -0.519  1.00  0.00           C  
HETATM    8  C   UNL     1      18.575   5.156  -0.016  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.868   7.415  -0.830  1.00  0.00           N  
HETATM   10  O   UNL     1      -5.457  -2.722  -2.383  1.00  0.00           O  
HETATM   11  P   UNL     1      -4.952  -2.764  -0.923  1.00  0.00           P  
HETATM   12  C   UNL     1      -7.319   2.395   0.386  1.00  0.00           C  
HETATM   13  S   UNL     1      12.401   0.740   1.678  1.00  0.00           S  
HETATM   14  C   UNL     1      -8.159   6.804   0.304  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.462  -4.051  -0.239  1.00  0.00           O1-
HETATM   16  P   UNL     1      -2.211  -3.458  -1.814  1.00  0.00           P  
HETATM   17  C   UNL     1      -8.762   1.830   0.361  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.634   2.623   1.170  1.00  0.00           O  
HETATM   19  C   UNL     1      11.082   0.281   0.526  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.969   5.513   0.480  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.342  -2.751  -0.912  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.569   0.421   0.973  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.899   0.431   2.364  1.00  0.00           O  
HETATM   24  P   UNL     1     -10.039  -0.511   3.000  1.00  0.00           P  
HETATM   25  C   UNL     1      10.098  -0.658   1.227  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.467   4.764  -0.496  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.642  -4.906  -2.138  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.069   0.127   0.777  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.502   1.246   0.076  1.00  0.00           O  
HETATM   30  N   UNL     1       9.030  -1.029   0.295  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.141   5.367  -1.722  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.032  -2.667  -3.129  1.00  0.00           O1-
HETATM   33  C   UNL     1      -6.893  -1.148  -0.049  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.505  -1.478  -0.127  1.00  0.00           O  
HETATM   35  C   UNL     1       8.043  -1.855   0.695  1.00  0.00           C  
HETATM   36  O   UNL     1       8.039  -2.291   1.827  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.362   6.748  -1.862  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.060   7.397  -3.046  1.00  0.00           N  
HETATM   39  O   UNL     1      -0.818  -3.481  -1.007  1.00  0.00           O  
HETATM   40  C   UNL     1       6.945  -2.237  -0.264  1.00  0.00           C  
HETATM   41  N   UNL     1      -6.655   4.394  -2.530  1.00  0.00           N  
HETATM   42  O   UNL     1      -9.673  -2.014   2.753  1.00  0.00           O1-
HETATM   43  C   UNL     1       5.960  -3.176   0.437  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.662   3.259  -1.893  1.00  0.00           C  
HETATM   45  O   UNL     1     -10.137  -0.244   4.541  1.00  0.00           O  
HETATM   46  N   UNL     1       4.893  -3.548  -0.495  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.154   3.435  -0.633  1.00  0.00           N  
HETATM   48  O   UNL     1     -11.417  -0.192   2.326  1.00  0.00           O1-
HETATM   49  C   UNL     1       3.906  -4.374  -0.095  1.00  0.00           C  
HETATM   50  O   UNL     1       3.950  -4.883   1.005  1.00  0.00           O  
HETATM   51  C   UNL     1       2.747  -4.664  -1.014  1.00  0.00           C  
HETATM   52  O   UNL     1       3.048  -4.184  -2.326  1.00  0.00           O  
HETATM   53  C   UNL     1       1.492  -3.964  -0.489  1.00  0.00           C  
HETATM   54  C   UNL     1       0.354  -4.135  -1.497  1.00  0.00           C  
HETATM   55  C   UNL     1       1.085  -4.582   0.850  1.00  0.00           C  
HETATM   56  C   UNL     1       1.783  -2.474  -0.296  1.00  0.00           C  
HETATM   57  H   UNL     1      14.324   3.044   2.058  1.00  0.00           H  
HETATM   58  H   UNL     1      15.287   1.646   1.521  1.00  0.00           H  
HETATM   59  H   UNL     1      15.394   2.663  -0.774  1.00  0.00           H  
HETATM   60  H   UNL     1      14.139   4.938   0.523  1.00  0.00           H  
HETATM   61  H   UNL     1      16.364   4.518   1.446  1.00  0.00           H  
HETATM   62  H   UNL     1      17.186   3.019   0.951  1.00  0.00           H  
HETATM   63  H   UNL     1      17.429   3.911  -1.350  1.00  0.00           H  
HETATM   64  H   UNL     1      16.608   5.411  -0.855  1.00  0.00           H  
HETATM   65  H   UNL     1      19.071   5.694  -0.824  1.00  0.00           H  
HETATM   66  H   UNL     1      18.390   5.837   0.815  1.00  0.00           H  
HETATM   67  H   UNL     1      19.212   4.338   0.320  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.076   2.784   1.375  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.568   7.385   1.117  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.136   1.763  -0.660  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.715   3.541   0.877  1.00  0.00           H  
HETATM   72  H   UNL     1      10.558   1.178   0.198  1.00  0.00           H  
HETATM   73  H   UNL     1      11.514  -0.224  -0.338  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.176  -0.312   0.443  1.00  0.00           H  
HETATM   75  H   UNL     1      10.622  -1.555   1.555  1.00  0.00           H  
HETATM   76  H   UNL     1       9.666  -0.153   2.091  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.584   0.012   1.747  1.00  0.00           H  
HETATM   78  H   UNL     1       9.034  -0.681  -0.611  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.435  -1.967   0.425  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.285  -0.987  -1.054  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.218   8.351  -3.130  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.691   6.899  -3.792  1.00  0.00           H  
HETATM   83  H   UNL     1       6.421  -1.340  -0.592  1.00  0.00           H  
HETATM   84  H   UNL     1       7.377  -2.743  -1.128  1.00  0.00           H  
HETATM   85  H   UNL     1       6.485  -4.074   0.765  1.00  0.00           H  
HETATM   86  H   UNL     1       5.529  -2.671   1.301  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.328   2.317  -2.301  1.00  0.00           H  
HETATM   88  H   UNL     1       4.897  -3.200  -1.401  1.00  0.00           H  
HETATM   89  H   UNL     1       2.575  -5.740  -1.051  1.00  0.00           H  
HETATM   90  H   UNL     1       3.214  -3.232  -2.368  1.00  0.00           H  
HETATM   91  H   UNL     1       0.147  -5.196  -1.635  1.00  0.00           H  
HETATM   92  H   UNL     1       0.644  -3.694  -2.451  1.00  0.00           H  
HETATM   93  H   UNL     1       1.863  -4.393   1.589  1.00  0.00           H  
HETATM   94  H   UNL     1       0.148  -4.138   1.186  1.00  0.00           H  
HETATM   95  H   UNL     1       0.954  -5.658   0.728  1.00  0.00           H  
HETATM   96  H   UNL     1       2.073  -2.034  -1.249  1.00  0.00           H  
HETATM   97  H   UNL     1       0.888  -1.975   0.078  1.00  0.00           H  
HETATM   98  H   UNL     1       2.594  -2.353   0.423  1.00  0.00           H  
CONECT    1    2    2    3   13                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   57   58                                       
CONECT    4    3    5    6   59                                       
CONECT    5    4   60                                                 
CONECT    6    4    7   61   62                                       
CONECT    7    6    8   63   64                                       
CONECT    8    7   65   66   67                                       
CONECT    9   14   14   37                                            
CONECT   10   11   11                                                 
CONECT   11   10   10   15   21                                       
CONECT   11   34                                                      
CONECT   12   17   29   47   68                                       
CONECT   13    1   19                                                 
CONECT   14    9    9   20   69                                       
CONECT   15   11                                                      
CONECT   16   21   27   27   32                                       
CONECT   16   39                                                      
CONECT   17   12   18   22   70                                       
CONECT   18   17   71                                                 
CONECT   19   13   25   72   73                                       
CONECT   20   14   26   26                                            
CONECT   21   11   16                                                 
CONECT   22   17   23   28   74                                       
CONECT   23   22   24                                                 
CONECT   24   23   42   45   45                                       
CONECT   24   48                                                      
CONECT   25   19   30   75   76                                       
CONECT   26   20   20   31   47                                       
CONECT   27   16   16                                                 
CONECT   28   22   29   33   77                                       
CONECT   29   12   28                                                 
CONECT   30   25   35   78                                            
CONECT   31   26   37   37   41                                       
CONECT   32   16                                                      
CONECT   33   28   34   79   80                                       
CONECT   34   11   33                                                 
CONECT   35   30   36   36   40                                       
CONECT   36   35   35                                                 
CONECT   37    9   31   31   38                                       
CONECT   38   37   81   82                                            
CONECT   39   16   54                                                 
CONECT   40   35   43   83   84                                       
CONECT   41   31   44   44                                            
CONECT   42   24                                                      
CONECT   43   40   46   85   86                                       
CONECT   44   41   41   47   87                                       
CONECT   45   24   24                                                 
CONECT   46   43   49   88                                            
CONECT   47   12   26   44                                            
CONECT   48   24                                                      
CONECT   49   46   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   53   89                                       
CONECT   52   51   90                                                 
CONECT   53   51   54   55   56                                       
CONECT   54   39   53   91   92                                       
CONECT   55   53   93   94   95                                       
CONECT   56   53   96   97   98                                       
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   22                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   46                                                      
CONECT   89   51                                                      
CONECT   90   52                                                      
CONECT   91   54                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   55                                                      
CONECT   95   55                                                      
CONECT   96   56                                                      
CONECT   97   56                                                      
CONECT   98   56                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
