COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.986  -0.995   0.743  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.809   4.264  -0.388  1.00  0.00           N  
HETATM    3  O   UNL     1       6.686  -0.662   1.232  1.00  0.00           O  
HETATM    4  S   UNL     1      -0.442  -2.240  -0.486  1.00  0.00           S  
HETATM    5  C   UNL     1       5.832  -0.067   0.359  1.00  0.00           C  
HETATM    6  O   UNL     1       1.405   0.181   0.079  1.00  0.00           O  
HETATM    7  C   UNL     1       6.237   0.191  -0.942  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.246   1.415   0.913  1.00  0.00           O  
HETATM    9  C   UNL     1       5.367   0.797  -1.829  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.703   0.508   1.074  1.00  0.00           O  
HETATM   11  C   UNL     1       4.093   1.145  -1.419  1.00  0.00           C  
HETATM   12  C   UNL     1       3.687   0.889  -0.123  1.00  0.00           C  
HETATM   13  C   UNL     1       2.298   1.270   0.320  1.00  0.00           C  
HETATM   14  C   UNL     1       0.112   0.361   0.422  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.828  -0.679   0.211  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.106  -2.795  -0.354  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.682  -4.019  -0.715  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.024  -4.237  -0.518  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.820  -3.245   0.040  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.283  -2.048   0.398  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.905  -1.794   0.209  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.144  -0.597   0.520  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.216   1.495   0.177  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.391   2.223   0.835  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.897   3.319  -0.106  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.688   3.597  -1.062  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.116   2.509  -0.150  1.00  0.00           C  
HETATM   28  C   UNL     1       4.551   0.279   0.765  1.00  0.00           C  
HETATM   29  H   UNL     1       8.566  -1.463   1.539  1.00  0.00           H  
HETATM   30  H   UNL     1       7.894  -1.687  -0.093  1.00  0.00           H  
HETATM   31  H   UNL     1       8.493  -0.089   0.410  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.141   5.048  -0.929  1.00  0.00           H  
HETATM   33  H   UNL     1       7.232  -0.080  -1.262  1.00  0.00           H  
HETATM   34  H   UNL     1       5.682   0.998  -2.842  1.00  0.00           H  
HETATM   35  H   UNL     1       3.414   1.618  -2.114  1.00  0.00           H  
HETATM   36  H   UNL     1       1.965   2.144  -0.241  1.00  0.00           H  
HETATM   37  H   UNL     1       2.307   1.504   1.385  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.069  -4.795  -1.150  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.462  -5.184  -0.799  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.874  -3.426   0.190  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.914  -1.285   0.831  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.553   1.013  -0.741  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.195   1.513   1.031  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.063   2.671   1.773  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.725   3.849   0.365  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.237   2.869  -1.038  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.039   3.145  -1.990  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.911   4.328  -1.285  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.752   2.962   0.772  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.294   2.004  -0.657  1.00  0.00           H  
HETATM   51  H   UNL     1       4.231   0.074   1.776  1.00  0.00           H  
CONECT    1    3   29   30   31                                       
CONECT    2   25   26   32                                            
CONECT    3    1    5                                                 
CONECT    4   15   16                                                 
CONECT    5    3    7    7   28                                       
CONECT    6   13   14                                                 
CONECT    7    5    5    9   33                                       
CONECT    8   14   14                                                 
CONECT    9    7   11   11   34                                       
CONECT   10   22   23                                                 
CONECT   11    9    9   12   35                                       
CONECT   12   11   13   28   28                                       
CONECT   13    6   12   36   37                                       
CONECT   14    6    8    8   15                                       
CONECT   15    4   14   22   22                                       
CONECT   16    4   17   17   21                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   16   20   20   22                                       
CONECT   22   10   15   15   21                                       
CONECT   23   10   24   27   42                                       
CONECT   24   23   25   43   44                                       
CONECT   25    2   24   45   46                                       
CONECT   26    2   27   47   48                                       
CONECT   27   23   26   49   50                                       
CONECT   28    5   12   12   51                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
