COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.010   1.618   2.467  1.00  0.00           C  
HETATM    2  N   UNL     1       1.729   1.545   1.031  1.00  0.00           N  
HETATM    3  C   UNL     1       0.374   1.244   0.564  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.593   2.316   1.076  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.953   2.145   0.389  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.376   0.700   0.509  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.531  -0.305   0.826  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.060  -0.126   1.100  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.310  -1.526   0.843  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.978  -2.859   1.104  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.996  -3.778   1.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.293  -3.415   0.706  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.649  -2.103   0.444  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.638  -1.148   0.515  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.639   0.203   0.321  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.814   1.002  -0.035  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.934   1.078  -1.536  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.944   1.764  -2.094  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.121   0.523  -2.236  1.00  0.00           O  
HETATM   20  S   UNL     1       2.944   1.803  -0.064  1.00  0.00           S  
HETATM   21  O   UNL     1       2.316   2.212  -1.271  1.00  0.00           O  
HETATM   22  O   UNL     1       3.928   2.581   0.603  1.00  0.00           O  
HETATM   23  C   UNL     1       3.687   0.240  -0.396  1.00  0.00           C  
HETATM   24  C   UNL     1       3.207  -0.550  -1.424  1.00  0.00           C  
HETATM   25  C   UNL     1       3.789  -1.775  -1.685  1.00  0.00           C  
HETATM   26  C   UNL     1       4.855  -2.213  -0.916  1.00  0.00           C  
HETATM   27  C   UNL     1       5.335  -1.421   0.113  1.00  0.00           C  
HETATM   28  C   UNL     1       4.755  -0.194   0.369  1.00  0.00           C  
HETATM   29  F   UNL     1       5.424  -3.411  -1.171  1.00  0.00           F  
HETATM   30  H   UNL     1       2.300   0.633   2.832  1.00  0.00           H  
HETATM   31  H   UNL     1       2.822   2.324   2.643  1.00  0.00           H  
HETATM   32  H   UNL     1       1.117   1.953   2.995  1.00  0.00           H  
HETATM   33  H   UNL     1       0.359   1.230  -0.525  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.715   2.211   2.154  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.193   3.304   0.849  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.690   2.784   0.874  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.867   2.415  -0.664  1.00  0.00           H  
HETATM   38  H   UNL     1       0.504  -0.911   0.596  1.00  0.00           H  
HETATM   39  H   UNL     1       0.122  -0.174   2.174  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.969  -3.152   1.355  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.777  -4.818   1.222  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.053  -4.181   0.660  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.665  -1.832   0.195  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.709   0.536   0.377  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.707   2.007   0.372  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.979   1.784  -3.060  1.00  0.00           H  
HETATM   47  H   UNL     1       2.375  -0.208  -2.023  1.00  0.00           H  
HETATM   48  H   UNL     1       3.413  -2.392  -2.488  1.00  0.00           H  
HETATM   49  H   UNL     1       6.166  -1.761   0.713  1.00  0.00           H  
HETATM   50  H   UNL     1       5.129   0.424   1.172  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2   20    1    3                                            
CONECT    3    2    4    8   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7    7   15                                       
CONECT    7    8    6    6    9                                       
CONECT    8    3    7   38   39                                       
CONECT    9    7   10   10   14                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13   14   14   12   43                                       
CONECT   14    9   15   13   13                                       
CONECT   15    6   16   14                                            
CONECT   16   15   17   44   45                                       
CONECT   17   19   19   16   18                                       
CONECT   18   17   46                                                 
CONECT   19   17   17                                                 
CONECT   20   21   21   22   22                                       
CONECT   20   23    2                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   28   20   24   24                                       
CONECT   24   23   23   25   47                                       
CONECT   25   26   26   24   48                                       
CONECT   26   27   29   25   25                                       
CONECT   27   28   28   26   49                                       
CONECT   28   27   27   23   50                                       
CONECT   29   26                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
