COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.829   3.333   2.969  1.00  0.00           C  
HETATM    2  O   UNL     1       0.780   2.554   2.390  1.00  0.00           O  
HETATM    3  C   UNL     1       1.136   1.650   1.439  1.00  0.00           C  
HETATM    4  C   UNL     1       2.464   1.513   1.075  1.00  0.00           C  
HETATM    5  C   UNL     1       2.825   0.589   0.104  1.00  0.00           C  
HETATM    6  N   UNL     1       4.168   0.449  -0.264  1.00  0.00           N  
HETATM    7  S   UNL     1       4.654  -0.871  -1.138  1.00  0.00           S  
HETATM    8  C   UNL     1       4.276  -2.287  -0.068  1.00  0.00           C  
HETATM    9  O   UNL     1       3.806  -0.868  -2.278  1.00  0.00           O  
HETATM   10  O   UNL     1       6.059  -0.706  -1.269  1.00  0.00           O  
HETATM   11  C   UNL     1       1.854  -0.197  -0.503  1.00  0.00           C  
HETATM   12  C   UNL     1       0.527  -0.061  -0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       0.163   0.857   0.832  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.182   0.991   1.202  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.156   0.298   0.517  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.894   0.908  -0.517  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.656   2.244  -0.882  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.383   2.809  -1.884  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.363   2.078  -2.556  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.620   0.784  -2.231  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.890   0.161  -1.199  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.133  -1.107  -0.870  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.462  -1.724   0.101  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.746  -3.067   0.422  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.053  -3.686   1.416  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.060  -3.014   2.128  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.756  -1.718   1.848  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.446  -1.047   0.825  1.00  0.00           C  
HETATM   29  H   UNL     1       1.410   4.013   3.711  1.00  0.00           H  
HETATM   30  H   UNL     1       2.550   2.672   3.449  1.00  0.00           H  
HETATM   31  H   UNL     1       2.327   3.909   2.189  1.00  0.00           H  
HETATM   32  H   UNL     1       3.220   2.124   1.547  1.00  0.00           H  
HETATM   33  H   UNL     1       4.814   1.125  -0.007  1.00  0.00           H  
HETATM   34  H   UNL     1       3.196  -2.378   0.047  1.00  0.00           H  
HETATM   35  H   UNL     1       4.672  -3.198  -0.517  1.00  0.00           H  
HETATM   36  H   UNL     1       4.734  -2.136   0.910  1.00  0.00           H  
HETATM   37  H   UNL     1       2.137  -0.915  -1.259  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.226  -0.672  -0.616  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.427   1.571   1.939  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.901   2.821  -0.368  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.199   3.836  -2.163  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.926   2.549  -3.348  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.383   0.234  -2.762  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.512  -3.603  -0.118  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.276  -4.715   1.657  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.529  -3.529   2.916  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.985  -1.209   2.408  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   13                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6   11   11                                       
CONECT    6    7    5   33                                            
CONECT    7   10   10    8    6                                       
CONECT    7    9    9                                                 
CONECT    8    7   34   35   36                                       
CONECT    9    7    7                                                 
CONECT   10    7    7                                                 
CONECT   11    5    5   12   37                                       
CONECT   12   13   13   11   38                                       
CONECT   13    3   14   12   12                                       
CONECT   14   13   15   39                                            
CONECT   15   14   28   28   16                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20   21   21   19   43                                       
CONECT   21   16   22   20   20                                       
CONECT   22   23   23   21                                            
CONECT   23   28   24   22   22                                       
CONECT   24   25   25   23   44                                       
CONECT   25   26   24   24   45                                       
CONECT   26   27   27   25   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28   27   15   15   23                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
