COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.958   0.340   1.768  1.00  0.00           O  
HETATM    2  C   UNL     1       2.751  -0.061   0.643  1.00  0.00           C  
HETATM    3  N   UNL     1       3.760  -0.586  -0.081  1.00  0.00           N  
HETATM    4  C   UNL     1       5.106  -0.671   0.492  1.00  0.00           C  
HETATM    5  C   UNL     1       6.056  -1.300  -0.529  1.00  0.00           C  
HETATM    6  C   UNL     1       6.093  -0.437  -1.791  1.00  0.00           C  
HETATM    7  C   UNL     1       7.461  -1.389   0.069  1.00  0.00           C  
HETATM    8  C   UNL     1       5.564  -2.704  -0.886  1.00  0.00           C  
HETATM    9  C   UNL     1       1.366   0.021   0.056  1.00  0.00           C  
HETATM   10  C   UNL     1       0.414   0.645   1.079  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.955   0.616   0.556  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.908  -0.326   0.678  1.00  0.00           C  
HETATM   13  C   UNL     1       0.822   2.095   1.336  1.00  0.00           C  
HETATM   14  N   UNL     1       0.504   2.976   0.219  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.638   2.845  -0.497  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.963   3.658  -1.342  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.464   1.666  -0.197  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.738   1.368  -0.538  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.026   0.102   0.015  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.312  -0.634  -0.101  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.512  -1.841   0.456  1.00  0.00           C  
HETATM   22  S   UNL     1      -6.146  -2.388   0.105  1.00  0.00           S  
HETATM   23  C   UNL     1      -6.481  -0.919  -0.801  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.411  -0.127  -0.791  1.00  0.00           C  
HETATM   25  H   UNL     1       3.595  -0.907  -0.981  1.00  0.00           H  
HETATM   26  H   UNL     1       1.388   0.637  -0.843  1.00  0.00           H  
HETATM   27  H   UNL     1       1.019  -0.981  -0.199  1.00  0.00           H  
HETATM   28  H   UNL     1       5.456   0.330   0.746  1.00  0.00           H  
HETATM   29  H   UNL     1       5.079  -1.286   1.391  1.00  0.00           H  
HETATM   30  H   UNL     1       6.443   0.564  -1.538  1.00  0.00           H  
HETATM   31  H   UNL     1       6.769  -0.885  -2.519  1.00  0.00           H  
HETATM   32  H   UNL     1       5.091  -0.373  -2.218  1.00  0.00           H  
HETATM   33  H   UNL     1       7.435  -2.004   0.969  1.00  0.00           H  
HETATM   34  H   UNL     1       8.138  -1.837  -0.658  1.00  0.00           H  
HETATM   35  H   UNL     1       7.812  -0.389   0.323  1.00  0.00           H  
HETATM   36  H   UNL     1       4.562  -2.641  -1.312  1.00  0.00           H  
HETATM   37  H   UNL     1       6.240  -3.152  -1.613  1.00  0.00           H  
HETATM   38  H   UNL     1       5.537  -3.319   0.014  1.00  0.00           H  
HETATM   39  H   UNL     1       0.461   0.081   2.010  1.00  0.00           H  
HETATM   40  H   UNL     1       0.303   2.454   2.226  1.00  0.00           H  
HETATM   41  H   UNL     1       1.896   2.132   1.519  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.807  -1.261   1.208  1.00  0.00           H  
HETATM   43  H   UNL     1       1.130   3.678  -0.019  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.407   1.982  -1.122  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.782  -2.390   1.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.394   0.833  -1.285  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.417  -0.691  -1.288  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4   25                                            
CONECT    4    3    5   28   29                                       
CONECT    5    4    6    7    8                                       
CONECT    6    5   30   31   32                                       
CONECT    7    5   33   34   35                                       
CONECT    8    5   36   37   38                                       
CONECT    9    2   10   26   27                                       
CONECT   10    9   11   13   39                                       
CONECT   11   10   12   17                                            
CONECT   12   11   19   19   42                                       
CONECT   13   10   14   40   41                                       
CONECT   14   13   15   43                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   11   15   18   18                                       
CONECT   18   17   17   19   44                                       
CONECT   19   12   12   18   20                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   47                                       
CONECT   24   20   23   23   46                                       
CONECT   25    3                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
