COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.940  -2.496  -0.543  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.068  -3.265  -0.197  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.826  -2.807   0.052  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.516  -1.462  -0.182  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.468  -0.481   0.051  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.155   0.857  -0.183  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.165   1.909   0.063  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.890   3.201  -0.159  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.375   4.076   0.260  1.00  0.00           S  
HETATM   10  C   UNL     1      -4.274   2.615   0.711  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.424   2.548   1.108  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.417   1.599   0.520  1.00  0.00           N  
HETATM   13  C   UNL     1       0.116   1.201  -0.648  1.00  0.00           C  
HETATM   14  C   UNL     1       1.056   0.218  -0.876  1.00  0.00           C  
HETATM   15  S   UNL     1       2.659   0.655  -1.464  1.00  0.00           S  
HETATM   16  O   UNL     1       3.178  -0.500  -2.110  1.00  0.00           O  
HETATM   17  O   UNL     1       2.519   1.911  -2.113  1.00  0.00           O  
HETATM   18  N   UNL     1       3.613   0.917  -0.137  1.00  0.00           N  
HETATM   19  C   UNL     1       3.924  -0.189   0.772  1.00  0.00           C  
HETATM   20  C   UNL     1       5.310  -0.777   0.435  1.00  0.00           C  
HETATM   21  C   UNL     1       6.274  -0.060   1.412  1.00  0.00           C  
HETATM   22  C   UNL     1       5.437   0.032   2.713  1.00  0.00           C  
HETATM   23  C   UNL     1       4.005   0.326   2.220  1.00  0.00           C  
HETATM   24  C   UNL     1       0.747  -1.109  -0.640  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.376  -4.732  -0.040  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.807  -5.189  -0.329  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.295  -5.142   1.112  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.146  -3.409   0.392  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.449  -0.753   0.411  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.962   3.622  -0.516  1.00  0.00           H  
HETATM   31  H   UNL     1       0.362   2.237  -0.831  1.00  0.00           H  
HETATM   32  H   UNL     1       3.967   1.803   0.039  1.00  0.00           H  
HETATM   33  H   UNL     1       3.160  -0.962   0.693  1.00  0.00           H  
HETATM   34  H   UNL     1       5.320  -1.853   0.609  1.00  0.00           H  
HETATM   35  H   UNL     1       5.578  -0.554  -0.598  1.00  0.00           H  
HETATM   36  H   UNL     1       7.173  -0.655   1.573  1.00  0.00           H  
HETATM   37  H   UNL     1       6.528   0.934   1.045  1.00  0.00           H  
HETATM   38  H   UNL     1       5.469  -0.913   3.254  1.00  0.00           H  
HETATM   39  H   UNL     1       5.800   0.845   3.343  1.00  0.00           H  
HETATM   40  H   UNL     1       3.813   1.398   2.247  1.00  0.00           H  
HETATM   41  H   UNL     1       3.281  -0.199   2.844  1.00  0.00           H  
HETATM   42  H   UNL     1       1.489  -1.874  -0.816  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.567  -5.413  -0.306  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.526  -4.428  -0.633  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.940  -6.170  -0.785  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.091  -6.092   1.605  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.677  -4.350   1.757  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.676   0.680   0.695  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   25    3                                       
CONECT    3    2    4   28                                            
CONECT    4    5    3   24   24                                       
CONECT    5    6    6    4   29                                       
CONECT    6    7    5    5   13                                       
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7   30                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10    7   48                                            
CONECT   13    6   14   14   31                                       
CONECT   14   13   13   24   15                                       
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   32                                            
CONECT   19   20   18   23   33                                       
CONECT   20   19   21   34   35                                       
CONECT   21   20   22   36   37                                       
CONECT   22   21   23   38   39                                       
CONECT   23   19   22   40   41                                       
CONECT   24    4    4   14   42                                       
CONECT   25   27   26    2   43                                       
CONECT   26   27   25   44   45                                       
CONECT   27   26   25   46   47                                       
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31   13                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   12                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
