COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.386   0.434  -2.845  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.620   0.346  -3.699  1.00  0.00           C  
HETATM    3  C   UNL     1       0.280  -0.014  -5.621  1.00  0.00           C  
HETATM    4  C   UNL     1       0.632  -0.458  -6.885  1.00  0.00           C  
HETATM    5  C   UNL     1       1.802  -1.171  -7.067  1.00  0.00           C  
HETATM    6  C   UNL     1       2.624  -1.443  -5.987  1.00  0.00           C  
HETATM    7  C   UNL     1       2.286  -1.005  -4.724  1.00  0.00           C  
HETATM    8  C   UNL     1       1.107  -0.282  -4.523  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.857   1.071  -0.960  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.927   0.340   0.384  1.00  0.00           C  
HETATM   11  C   UNL     1       0.424   0.334   0.639  1.00  0.00           C  
HETATM   12  C   UNL     1       0.648   1.064  -0.688  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.962   0.116   2.447  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.573  -1.388   4.584  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.489  -0.546   4.610  1.00  0.00           C  
HETATM   16  C   UNL     1       0.355  -0.453   5.809  1.00  0.00           C  
HETATM   17  C   UNL     1       2.251   0.468   7.009  1.00  0.00           C  
HETATM   18  C   UNL     1       3.377   1.475   6.763  1.00  0.00           C  
HETATM   19  N   UNL     1       0.790   0.143  -3.267  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.526   0.842  -1.545  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.829   0.793   1.246  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.217   0.192   3.531  1.00  0.00           N  
HETATM   23  O   UNL     1       0.097  -1.126   6.788  1.00  0.00           O  
HETATM   24  O   UNL     1       1.417   0.377   5.824  1.00  0.00           O  
HETATM   25  S   UNL     1      -1.215   0.890  -5.387  1.00  0.00           S  
HETATM   26  S   UNL     1      -2.190  -1.086   2.934  1.00  0.00           S  
HETATM   27  H   UNL     1      -1.980  -0.682  -3.725  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.393   0.992  -3.284  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.007  -0.246  -7.729  1.00  0.00           H  
HETATM   30  H   UNL     1       2.075  -1.517  -8.053  1.00  0.00           H  
HETATM   31  H   UNL     1       3.537  -2.001  -6.135  1.00  0.00           H  
HETATM   32  H   UNL     1       2.935  -1.221  -3.888  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.624   0.681  -1.630  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.012   2.139  -0.806  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.839  -0.733   0.218  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.880   0.556   0.865  1.00  0.00           H  
HETATM   37  H   UNL     1       1.253   0.545   1.314  1.00  0.00           H  
HETATM   38  H   UNL     1       0.368  -0.739   0.458  1.00  0.00           H  
HETATM   39  H   UNL     1       1.539   0.670  -1.178  1.00  0.00           H  
HETATM   40  H   UNL     1       0.772   2.131  -0.504  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.948  -2.051   5.349  1.00  0.00           H  
HETATM   42  H   UNL     1       2.680  -0.509   7.228  1.00  0.00           H  
HETATM   43  H   UNL     1       1.647   0.798   7.854  1.00  0.00           H  
HETATM   44  H   UNL     1       4.004   1.543   7.653  1.00  0.00           H  
HETATM   45  H   UNL     1       3.981   1.145   5.918  1.00  0.00           H  
HETATM   46  H   UNL     1       2.949   2.453   6.544  1.00  0.00           H  
CONECT    1    2   19   19   20                                       
CONECT    2    1   25   27   28                                       
CONECT    3    4    4    8   25                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    3    7    7   19                                       
CONECT    9   10   20   33   34                                       
CONECT   10    9   21   35   36                                       
CONECT   11   12   21   37   38                                       
CONECT   12   11   20   39   40                                       
CONECT   13   21   22   22   26                                       
CONECT   14   15   15   26   41                                       
CONECT   15   14   14   16   22                                       
CONECT   16   15   23   23   24                                       
CONECT   17   18   24   42   43                                       
CONECT   18   17   44   45   46                                       
CONECT   19    1    1    8                                            
CONECT   20    1    9   12                                            
CONECT   21   10   11   13                                            
CONECT   22   13   13   15                                            
CONECT   23   16   16                                                 
CONECT   24   16   17                                                 
CONECT   25    2    3                                                 
CONECT   26   13   14                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
