COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.786   1.447  -0.244  1.00  0.00           N  
HETATM    2  C   UNL     1       5.305   2.107  -1.445  1.00  0.00           C  
HETATM    3  C   UNL     1       3.885   2.170   0.657  1.00  0.00           C  
HETATM    4  C   UNL     1       2.436   1.943   0.219  1.00  0.00           C  
HETATM    5  O   UNL     1       2.102   0.563   0.375  1.00  0.00           O  
HETATM    6  C   UNL     1       0.842   0.190   0.028  1.00  0.00           C  
HETATM    7  C   UNL     1       0.449  -1.135   0.154  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.832  -1.511  -0.199  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.056   1.135  -0.449  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.336   0.753  -0.801  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.723  -0.568  -0.679  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.120  -0.982  -1.065  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.042  -0.860   0.150  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.233   0.886   0.643  1.00  0.00           S  
HETATM   15  C   UNL     1      -5.983   0.911   0.362  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.722   1.863   0.525  1.00  0.00           O  
HETATM   17  N   UNL     1      -6.343  -0.302  -0.062  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.454  -1.270  -0.206  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.744  -2.384  -0.589  1.00  0.00           O  
HETATM   20  C   UNL     1       6.425  -1.820  -0.475  1.00  0.00           C  
HETATM   21  C   UNL     1       5.827  -2.437   0.615  1.00  0.00           C  
HETATM   22  C   UNL     1       4.910  -1.735   1.371  1.00  0.00           C  
HETATM   23  N   UNL     1       4.597  -0.489   1.069  1.00  0.00           N  
HETATM   24  C   UNL     1       6.078  -0.513  -0.766  1.00  0.00           C  
HETATM   25  C   UNL     1       5.145   0.134   0.038  1.00  0.00           C  
HETATM   26  H   UNL     1       7.150  -2.346  -1.079  1.00  0.00           H  
HETATM   27  H   UNL     1       6.524  -0.002  -1.607  1.00  0.00           H  
HETATM   28  H   UNL     1       4.442  -2.212   2.219  1.00  0.00           H  
HETATM   29  H   UNL     1       6.076  -3.457   0.870  1.00  0.00           H  
HETATM   30  H   UNL     1       6.241   2.611  -1.207  1.00  0.00           H  
HETATM   31  H   UNL     1       5.480   1.362  -2.221  1.00  0.00           H  
HETATM   32  H   UNL     1       4.579   2.838  -1.800  1.00  0.00           H  
HETATM   33  H   UNL     1       4.017   1.803   1.675  1.00  0.00           H  
HETATM   34  H   UNL     1       4.112   3.235   0.622  1.00  0.00           H  
HETATM   35  H   UNL     1       1.771   2.550   0.833  1.00  0.00           H  
HETATM   36  H   UNL     1       2.325   2.227  -0.828  1.00  0.00           H  
HETATM   37  H   UNL     1       1.145  -1.871   0.529  1.00  0.00           H  
HETATM   38  H   UNL     1       0.246   2.167  -0.544  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.138  -2.542  -0.101  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.035   1.488  -1.172  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.483  -0.334  -1.862  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.110  -2.015  -1.412  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.663  -1.456   0.981  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.274  -0.477  -0.268  1.00  0.00           H  
CONECT    1    2    3   25                                            
CONECT    2    1   30   31   32                                       
CONECT    3    1    4   33   34                                       
CONECT    4    3    5   35   36                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    9    9                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7   11   39                                       
CONECT    9    6    6   10   38                                       
CONECT   10    9   11   11   40                                       
CONECT   11    8   10   10   12                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   14   18   43                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   44                                            
CONECT   18   13   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   24   24   26                                       
CONECT   21   20   22   22   29                                       
CONECT   22   21   21   23   28                                       
CONECT   23   22   25   25                                            
CONECT   24   20   20   25   27                                       
CONECT   25    1   23   23   24                                       
CONECT   26   20                                                      
CONECT   27   24                                                      
CONECT   28   22                                                      
CONECT   29   21                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
