COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.700  -1.960   0.168  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.577  -1.427   1.561  1.00  0.00           C  
HETATM    3  C   UNL     1       0.734  -4.080  -0.157  1.00  0.00           C  
HETATM    4  C   UNL     1       0.975  -2.598  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1       1.736  -1.866  -1.109  1.00  0.00           C  
HETATM    6  C   UNL     1       0.942   0.389  -1.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.273   0.025  -1.944  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.406  -0.341  -1.020  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.648  -1.644  -0.689  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.299   0.258   0.386  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.141   1.246   0.928  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.931   2.555   0.621  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.892   2.937  -0.226  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.056   2.009  -0.769  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.244   0.649  -0.474  1.00  0.00           C  
HETATM   16  C   UNL     1       2.771   1.397   0.187  1.00  0.00           C  
HETATM   17  C   UNL     1       3.750   2.063   0.920  1.00  0.00           C  
HETATM   18  C   UNL     1       4.821   1.364   1.431  1.00  0.00           C  
HETATM   19  C   UNL     1       4.925  -0.003   1.216  1.00  0.00           C  
HETATM   20  C   UNL     1       3.977  -0.670   0.502  1.00  0.00           C  
HETATM   21  C   UNL     1       2.870   0.019  -0.033  1.00  0.00           C  
HETATM   22  N   UNL     1       1.835  -0.447  -0.758  1.00  0.00           N1+
HETATM   23  N   UNL     1      -3.482  -1.035   0.670  1.00  0.00           N1+
HETATM   24  O   UNL     1       0.558  -1.996   0.927  1.00  0.00           O  
HETATM   25  S   UNL     1       1.301   1.969  -0.596  1.00  0.00           S  
HETATM   26  H   UNL     1      -2.879  -2.994   0.421  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.475  -1.613   0.972  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.300  -2.334   2.099  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.770  -0.626   2.274  1.00  0.00           H  
HETATM   30  H   UNL     1       1.180  -4.445  -1.082  1.00  0.00           H  
HETATM   31  H   UNL     1       1.186  -4.594   0.691  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.339  -4.274  -0.170  1.00  0.00           H  
HETATM   33  H   UNL     1       2.737  -2.289  -1.198  1.00  0.00           H  
HETATM   34  H   UNL     1       1.212  -1.969  -2.060  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.567   0.876  -2.559  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.040  -0.823  -2.587  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.023  -2.429  -1.090  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.951   0.967   1.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.580   3.309   1.039  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.747   3.983  -0.454  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.255   2.318  -1.424  1.00  0.00           H  
HETATM   42  H   UNL     1       3.671   3.127   1.087  1.00  0.00           H  
HETATM   43  H   UNL     1       5.581   1.880   1.999  1.00  0.00           H  
HETATM   44  H   UNL     1       5.768  -0.544   1.620  1.00  0.00           H  
HETATM   45  H   UNL     1       4.074  -1.734   0.344  1.00  0.00           H  
CONECT    1    9    9   23   26                                       
CONECT    2   23   27   28   29                                       
CONECT    3    4   30   31   32                                       
CONECT    4    3   24   24    5                                       
CONECT    5    4   22   33   34                                       
CONECT    6   25   22   22    7                                       
CONECT    7    6    8   35   36                                       
CONECT    8   15   15    7    9                                       
CONECT    9    8    1    1   37                                       
CONECT   10   15   11   23   23                                       
CONECT   11   12   12   10   38                                       
CONECT   12   13   11   11   39                                       
CONECT   13   14   14   12   40                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14    8    8   10                                       
CONECT   16   17   17   21   25                                       
CONECT   17   18   16   16   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   21   21   45                                       
CONECT   21   20   20   16   22                                       
CONECT   22   21    5    6    6                                       
CONECT   23   10   10    1    2                                       
CONECT   24    4    4                                                 
CONECT   25   16    6                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
