COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.699  -0.217  -1.369  1.00  0.00           C  
HETATM    2  C   UNL     1       1.066  -1.492   0.468  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.067  -0.782   0.279  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.123  -0.851  -0.424  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.126   1.036   0.706  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.437  -0.345  -0.767  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.106   1.225   1.806  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.638   1.154  -0.313  1.00  0.00           C  
HETATM    9  N   UNL     1       7.637   0.462   0.253  1.00  0.00           N  
HETATM   10  C   UNL     1       6.866  -0.520   0.689  1.00  0.00           C  
HETATM   11  C   UNL     1       5.385  -0.248   0.535  1.00  0.00           C  
HETATM   12  S   UNL     1       5.350   1.410  -0.227  1.00  0.00           S  
HETATM   13  C   UNL     1       7.115   1.576  -0.263  1.00  0.00           C  
HETATM   14  O   UNL     1       7.737   2.531  -0.687  1.00  0.00           O  
HETATM   15  O   UNL     1       7.304  -1.544   1.167  1.00  0.00           O  
HETATM   16  C   UNL     1       4.738  -1.284  -0.386  1.00  0.00           C  
HETATM   17  C   UNL     1       3.247  -1.062  -0.422  1.00  0.00           C  
HETATM   18  C   UNL     1       1.334  -0.007  -1.401  1.00  0.00           C  
HETATM   19  C   UNL     1       0.513  -0.645  -0.482  1.00  0.00           C  
HETATM   20  C   UNL     1       2.431  -1.702   0.492  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.830  -0.440  -0.512  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.613  -1.129   0.465  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.703   0.262   0.878  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.016   0.244   0.450  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.897  -1.433  -0.483  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.333   0.740   0.098  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.352  -1.133  -1.028  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.423   1.514   0.347  1.00  0.00           O  
HETATM   29  H   UNL     1       3.338   0.282  -2.082  1.00  0.00           H  
HETATM   30  H   UNL     1       0.430  -1.992   1.182  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.048   1.878   1.378  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.384  -0.567  -1.236  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.707   2.071   1.245  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.866   1.578   2.503  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.300   0.744   2.360  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.491   1.194  -1.392  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.924   0.143  -0.022  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.426   1.850  -0.028  1.00  0.00           H  
HETATM   39  H   UNL     1       8.601   0.372   0.314  1.00  0.00           H  
HETATM   40  H   UNL     1       5.145  -1.182  -1.391  1.00  0.00           H  
HETATM   41  H   UNL     1       4.946  -2.285  -0.009  1.00  0.00           H  
HETATM   42  H   UNL     1       0.906   0.653  -2.141  1.00  0.00           H  
HETATM   43  H   UNL     1       2.862  -2.361   1.231  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.293  -0.831   1.464  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.477  -2.204   0.347  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.443  -1.972  -1.701  1.00  0.00           H  
HETATM   47  H   UNL     1       4.892  -0.236   1.507  1.00  0.00           H  
CONECT    1   18   17   17   29                                       
CONECT    2   19   20   20   30                                       
CONECT    3   23   25   25   22                                       
CONECT    4   24   24   27   25                                       
CONECT    5   26   26   24   31                                       
CONECT    6   26   27   27   32                                       
CONECT    7   23   33   34   35                                       
CONECT    8   28   36   37   38                                       
CONECT    9   13   10   39                                            
CONECT   10   11    9   15   15                                       
CONECT   11   12   16   10   47                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14    9                                       
CONECT   14   13   13                                                 
CONECT   15   10   10                                                 
CONECT   16   17   11   40   41                                       
CONECT   17    1    1   20   16                                       
CONECT   18   19   19    1   42                                       
CONECT   19   21   18   18    2                                       
CONECT   20    2    2   17   43                                       
CONECT   21   22   19                                                 
CONECT   22    3   21   44   45                                       
CONECT   23    7   24    3                                            
CONECT   24    5   23    4    4                                       
CONECT   25    4    3    3                                            
CONECT   26   28    5    5    6                                       
CONECT   27    6    6    4   46                                       
CONECT   28    8   26                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
CONECT   47   11                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
