COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.350  -1.423   0.607  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.858  -2.719   1.243  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.039  -3.053   2.366  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.793  -3.847   0.209  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.333  -5.044   0.771  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.611  -3.443  -1.022  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.498  -4.456  -2.023  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.074  -2.119  -1.571  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.135  -1.122  -0.549  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.925  -1.679  -2.764  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.355  -0.506  -3.348  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.561   2.237   0.061  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.225   1.027   0.722  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.712   1.324   0.937  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.851   2.596   1.780  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.124   3.746   1.078  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.206   5.005   1.943  1.00  0.00           C  
HETATM   18  O   UNL     1       0.838   1.989  -0.091  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.084  -0.116  -0.124  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.234   2.924   1.926  1.00  0.00           O  
HETATM   21  S   UNL     1      -3.491  -0.066   1.803  1.00  0.00           S  
HETATM   22  O   UNL     1      -0.753   3.391   0.882  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.630   6.106   1.238  1.00  0.00           O  
HETATM   24  C   UNL     1       3.726   1.913  -0.398  1.00  0.00           C  
HETATM   25  C   UNL     1       2.912   3.208  -0.343  1.00  0.00           C  
HETATM   26  C   UNL     1       1.513   2.947  -0.909  1.00  0.00           C  
HETATM   27  C   UNL     1       1.644   2.402  -2.335  1.00  0.00           C  
HETATM   28  C   UNL     1       2.507   1.138  -2.312  1.00  0.00           C  
HETATM   29  C   UNL     1       2.692   0.621  -3.740  1.00  0.00           C  
HETATM   30  O   UNL     1       3.104   0.924   0.425  1.00  0.00           O  
HETATM   31  O   UNL     1       2.805   3.648   1.012  1.00  0.00           O  
HETATM   32  O   UNL     1       0.347   2.086  -2.846  1.00  0.00           O  
HETATM   33  O   UNL     1       3.783   1.444  -1.746  1.00  0.00           O  
HETATM   34  O   UNL     1       3.398  -0.621  -3.709  1.00  0.00           O  
HETATM   35  C   UNL     1       3.806  -0.217   0.657  1.00  0.00           C  
HETATM   36  C   UNL     1       3.262  -1.219   1.447  1.00  0.00           C  
HETATM   37  C   UNL     1       3.977  -2.377   1.681  1.00  0.00           C  
HETATM   38  C   UNL     1       5.234  -2.539   1.128  1.00  0.00           C  
HETATM   39  C   UNL     1       5.778  -1.541   0.340  1.00  0.00           C  
HETATM   40  C   UNL     1       5.065  -0.383   0.099  1.00  0.00           C  
HETATM   41  N   UNL     1       5.998  -3.781   1.380  1.00  0.00           N1+
HETATM   42  O   UNL     1       5.519  -4.660   2.074  1.00  0.00           O  
HETATM   43  O   UNL     1       7.105  -3.924   0.894  1.00  0.00           O1-
HETATM   44  H   UNL     1      -2.307  -1.545   0.317  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.889  -2.584   1.572  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.029  -2.380   3.060  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.756  -4.016  -0.081  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.867  -5.354   1.559  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.658  -3.325  -0.740  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.816  -5.325  -1.742  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.040  -2.250  -1.890  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.951  -2.477  -3.505  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.938  -1.462  -2.427  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.844  -0.170  -4.112  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.008   2.408  -0.918  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.751   0.830   1.684  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.198   1.472  -0.028  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.409   2.431   2.763  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.592   3.937   0.112  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.250   5.224   2.168  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.661   4.843   2.873  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.166  -0.360  -0.306  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.396   3.720   2.450  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.648   6.940   1.728  1.00  0.00           H  
HETATM   65  H   UNL     1       4.737   2.103  -0.036  1.00  0.00           H  
HETATM   66  H   UNL     1       3.408   3.975  -0.938  1.00  0.00           H  
HETATM   67  H   UNL     1       0.946   3.878  -0.924  1.00  0.00           H  
HETATM   68  H   UNL     1       2.114   3.152  -2.970  1.00  0.00           H  
HETATM   69  H   UNL     1       2.016   0.373  -1.709  1.00  0.00           H  
HETATM   70  H   UNL     1       1.716   0.472  -4.202  1.00  0.00           H  
HETATM   71  H   UNL     1       3.262   1.348  -4.319  1.00  0.00           H  
HETATM   72  H   UNL     1       3.656   3.828   1.435  1.00  0.00           H  
HETATM   73  H   UNL     1       0.355   1.735  -3.747  1.00  0.00           H  
HETATM   74  H   UNL     1       3.552  -1.008  -4.582  1.00  0.00           H  
HETATM   75  H   UNL     1       2.280  -1.093   1.879  1.00  0.00           H  
HETATM   76  H   UNL     1       3.554  -3.158   2.296  1.00  0.00           H  
HETATM   77  H   UNL     1       6.760  -1.670  -0.090  1.00  0.00           H  
HETATM   78  H   UNL     1       5.489   0.394  -0.520  1.00  0.00           H  
CONECT    1    2    9   21   44                                       
CONECT    2    1    3    4   45                                       
CONECT    3    2   46                                                 
CONECT    4    2    5    6   47                                       
CONECT    5    4   48                                                 
CONECT    6    4    7    8   49                                       
CONECT    7    6   50                                                 
CONECT    8    6    9   10   51                                       
CONECT    9    1    8                                                 
CONECT   10    8   11   52   53                                       
CONECT   11   10   54                                                 
CONECT   12   13   18   22   55                                       
CONECT   13   12   14   19   56                                       
CONECT   14   13   15   21   57                                       
CONECT   15   14   16   20   58                                       
CONECT   16   15   17   22   59                                       
CONECT   17   16   23   60   61                                       
CONECT   18   12   26                                                 
CONECT   19   13   62                                                 
CONECT   20   15   63                                                 
CONECT   21    1   14                                                 
CONECT   22   12   16                                                 
CONECT   23   17   64                                                 
CONECT   24   25   30   33   65                                       
CONECT   25   24   26   31   66                                       
CONECT   26   18   25   27   67                                       
CONECT   27   26   28   32   68                                       
CONECT   28   27   29   33   69                                       
CONECT   29   28   34   70   71                                       
CONECT   30   24   35                                                 
CONECT   31   25   72                                                 
CONECT   32   27   73                                                 
CONECT   33   24   28                                                 
CONECT   34   29   74                                                 
CONECT   35   30   36   36   40                                       
CONECT   36   35   35   37   75                                       
CONECT   37   36   38   38   76                                       
CONECT   38   37   37   39   41                                       
CONECT   39   38   40   40   77                                       
CONECT   40   35   39   39   78                                       
CONECT   41   38   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
