COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.362  -0.060   0.176  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.170  -0.549  -0.135  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.383  -1.425   0.246  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.590   1.423  -1.129  1.00  0.00           N  
HETATM    5  C   UNL     1       1.483   0.954  -0.427  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.995  -1.544   0.363  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.895   1.426  -1.297  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.494   2.286   0.264  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.984   1.229   0.224  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.978  -0.173   0.294  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.141  -1.208   0.016  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.540  -2.449  -0.031  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.166  -2.561   0.080  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.674   0.473  -0.819  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.997   0.447  -0.449  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.782  -0.594   0.076  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.941  -1.451   0.704  1.00  0.00           N  
HETATM   18  C   UNL     1       0.280  -1.012   0.600  1.00  0.00           C  
HETATM   19  N   UNL     1       0.298   0.156  -0.102  1.00  0.00           N  
HETATM   20  O   UNL     1       2.671   0.135  -0.372  1.00  0.00           O  
HETATM   21  C   UNL     1       1.704   2.047   0.641  1.00  0.00           C  
HETATM   22  O   UNL     1       1.183   3.300   0.192  1.00  0.00           O  
HETATM   23  C   UNL     1       3.240   2.122   0.790  1.00  0.00           C  
HETATM   24  O   UNL     1       3.715   3.424   0.439  1.00  0.00           O  
HETATM   25  C   UNL     1       3.766   1.063  -0.209  1.00  0.00           C  
HETATM   26  C   UNL     1       4.990   0.349   0.367  1.00  0.00           C  
HETATM   27  O   UNL     1       5.528  -0.540  -0.614  1.00  0.00           O  
HETATM   28  S   UNL     1       6.756  -1.308  -0.147  1.00  0.00           S  
HETATM   29  O   UNL     1       7.271  -1.977  -1.290  1.00  0.00           O  
HETATM   30  O   UNL     1       7.523  -0.402   0.635  1.00  0.00           O  
HETATM   31  N   UNL     1       6.231  -2.489   0.889  1.00  0.00           N  
HETATM   32  H   UNL     1       1.377   1.404  -1.414  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.610  -2.323   0.794  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.345   2.234  -1.855  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.950   3.231   0.300  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.371   0.711   0.422  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.214  -1.124  -0.071  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.144  -3.335  -0.154  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.701  -3.535   0.043  1.00  0.00           H  
HETATM   40  H   UNL     1       1.151  -1.502   1.011  1.00  0.00           H  
HETATM   41  H   UNL     1       1.241   1.759   1.585  1.00  0.00           H  
HETATM   42  H   UNL     1       1.296   4.022   0.824  1.00  0.00           H  
HETATM   43  H   UNL     1       3.539   1.869   1.807  1.00  0.00           H  
HETATM   44  H   UNL     1       3.367   4.132   0.998  1.00  0.00           H  
HETATM   45  H   UNL     1       4.012   1.531  -1.163  1.00  0.00           H  
HETATM   46  H   UNL     1       5.744   1.085   0.643  1.00  0.00           H  
HETATM   47  H   UNL     1       4.697  -0.220   1.250  1.00  0.00           H  
HETATM   48  H   UNL     1       5.285  -2.577   1.084  1.00  0.00           H  
HETATM   49  H   UNL     1       6.869  -3.093   1.299  1.00  0.00           H  
CONECT    1   10   10   11    9                                       
CONECT    2   16   16   14    6                                       
CONECT    3    6   13   13   10                                       
CONECT    4   15   15    7                                            
CONECT    5   20   21   19   32                                       
CONECT    6    2    3   33                                            
CONECT    7    4   14   14   34                                       
CONECT    8    9    9    9   35                                       
CONECT    9    1    8    8    8                                       
CONECT   10    3    1    1   36                                       
CONECT   11   12   12    1   37                                       
CONECT   12   13   11   11   38                                       
CONECT   13    3    3   12   39                                       
CONECT   14    7    7    2                                            
CONECT   15   19    4    4   16                                       
CONECT   16   17   15    2    2                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   40                                       
CONECT   19    5   18   15                                            
CONECT   20   25    5                                                 
CONECT   21   23    5   22   41                                       
CONECT   22   21   42                                                 
CONECT   23   25   24   21   43                                       
CONECT   24   23   44                                                 
CONECT   25   26   23   20   45                                       
CONECT   26   27   25   46   47                                       
CONECT   27   28   26                                                 
CONECT   28   31   29   29   30                                       
CONECT   28   30   27                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   48   49                                            
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
