COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.950   2.782   0.629  1.00  0.00           O  
HETATM    2  S   UNL     1       2.525   1.860  -0.287  1.00  0.00           S  
HETATM    3  O   UNL     1       3.465   2.239  -1.283  1.00  0.00           O  
HETATM    4  C   UNL     1       3.303   0.613   0.684  1.00  0.00           C  
HETATM    5  C   UNL     1       3.931  -0.477   0.063  1.00  0.00           C  
HETATM    6  C   UNL     1       3.969  -0.624  -1.335  1.00  0.00           C  
HETATM    7  C   UNL     1       4.599  -1.711  -1.861  1.00  0.00           C  
HETATM    8  N   UNL     1       5.173  -2.627  -1.093  1.00  0.00           N  
HETATM    9  C   UNL     1       5.177  -2.554   0.218  1.00  0.00           C  
HETATM   10  C   UNL     1       4.554  -1.472   0.860  1.00  0.00           C  
HETATM   11  C   UNL     1       4.531  -1.349   2.258  1.00  0.00           C  
HETATM   12  C   UNL     1       3.912  -0.277   2.827  1.00  0.00           C  
HETATM   13  C   UNL     1       3.305   0.703   2.043  1.00  0.00           C  
HETATM   14  N   UNL     1       1.262   1.144  -1.084  1.00  0.00           N  
HETATM   15  C   UNL     1       0.141   0.584  -0.325  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.047   0.357  -1.263  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.171  -0.205  -0.502  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.332  -0.436  -1.372  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.462  -1.012  -0.559  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.262  -0.174   0.217  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.305  -0.714   0.967  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.542  -2.073   0.938  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.745  -2.900   0.166  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.711  -2.369  -0.585  1.00  0.00           C  
HETATM   25  H   UNL     1       3.507   0.111  -1.979  1.00  0.00           H  
HETATM   26  H   UNL     1       4.631  -1.830  -2.934  1.00  0.00           H  
HETATM   27  H   UNL     1       5.657  -3.326   0.800  1.00  0.00           H  
HETATM   28  H   UNL     1       5.000  -2.098   2.879  1.00  0.00           H  
HETATM   29  H   UNL     1       3.894  -0.183   3.903  1.00  0.00           H  
HETATM   30  H   UNL     1       2.822   1.542   2.521  1.00  0.00           H  
HETATM   31  H   UNL     1       1.264   1.096  -2.052  1.00  0.00           H  
HETATM   32  H   UNL     1       0.441  -0.366   0.117  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.147   1.277   0.465  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.347   1.307  -1.705  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.759  -0.337  -2.053  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.414   0.389   0.276  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.647   0.508  -1.815  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.060  -1.136  -2.163  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.927  -0.069   1.570  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.350  -2.492   1.518  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.933  -3.963   0.147  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.095  -3.018  -1.189  1.00  0.00           H  
HETATM   43  B   UNL     1      -4.987   1.371   0.247  1.00  0.00           B  
HETATM   44  O   UNL     1      -5.803   2.222   1.038  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.923   1.918  -0.518  1.00  0.00           O  
HETATM   46  H   UNL     1      -5.557   3.157   0.993  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.832   2.877  -0.436  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   14    4    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4   13   13    5    2                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   25                                       
CONECT    7    8    8    6   26                                       
CONECT    8    9    7    7                                            
CONECT    9   10   10    8   27                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   12   10   28                                       
CONECT   12   11   11   13   29                                       
CONECT   13   12    4    4   30                                       
CONECT   14   15    2   31                                            
CONECT   15   14   16   32   33                                       
CONECT   16   15   17   34   35                                       
CONECT   17   18   16   36                                            
CONECT   18   19   17   37   38                                       
CONECT   19   20   18   24   24                                       
CONECT   20   21   21   19   43                                       
CONECT   21   20   20   22   39                                       
CONECT   22   21   23   23   40                                       
CONECT   23   22   22   24   41                                       
CONECT   24   19   19   23   42                                       
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   20   44   45                                            
CONECT   44   43   46                                                 
CONECT   45   43   47                                                 
CONECT   46   44                                                      
CONECT   47   45                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
