COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.912  -0.293   0.067  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.640  -0.749   0.043  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.593   0.130   0.015  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.775   1.431   0.012  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.006   1.960   0.034  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.123   1.109   0.058  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.270   1.929   0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.678   4.454   0.012  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.393  -2.128   0.046  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.248  -2.806   1.249  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.005  -4.166   1.249  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.907  -4.852   0.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.050  -4.179  -1.148  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.299  -2.821  -1.154  1.00  0.00           C  
HETATM   15  C   UNL     1       1.984   1.049  -0.045  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.853  -1.066   0.092  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.885   3.174   0.068  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.486   3.232   0.037  1.00  0.00           N  
HETATM   19  S   UNL     1       1.052  -0.502  -0.016  1.00  0.00           S  
HETATM   20  C   UNL     1       1.697   1.792  -1.351  1.00  0.00           C  
HETATM   21  C   UNL     1       3.458   0.750   0.050  1.00  0.00           C  
HETATM   22  C   UNL     1       4.199   1.252   1.104  1.00  0.00           C  
HETATM   23  C   UNL     1       5.551   0.979   1.190  1.00  0.00           C  
HETATM   24  C   UNL     1       6.163   0.204   0.223  1.00  0.00           C  
HETATM   25  C   UNL     1       5.423  -0.298  -0.831  1.00  0.00           C  
HETATM   26  C   UNL     1       4.069  -0.030  -0.914  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.293   1.584   0.098  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.500   4.751  -1.022  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.208   5.251   0.532  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.724   4.269   0.506  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.324  -2.271   2.184  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.892  -4.694   2.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.717  -5.915   0.055  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.972  -4.718  -2.080  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.416  -2.297  -2.091  1.00  0.00           H  
HETATM   36  H   UNL     1       1.684   1.669   0.800  1.00  0.00           H  
HETATM   37  H   UNL     1       1.997   1.172  -2.195  1.00  0.00           H  
HETATM   38  H   UNL     1       0.631   2.008  -1.419  1.00  0.00           H  
HETATM   39  H   UNL     1       2.259   2.726  -1.368  1.00  0.00           H  
HETATM   40  H   UNL     1       3.721   1.858   1.859  1.00  0.00           H  
HETATM   41  H   UNL     1       6.130   1.372   2.013  1.00  0.00           H  
HETATM   42  H   UNL     1       7.220  -0.009   0.290  1.00  0.00           H  
HETATM   43  H   UNL     1       5.901  -0.903  -1.587  1.00  0.00           H  
HETATM   44  H   UNL     1       3.490  -0.422  -1.737  1.00  0.00           H  
CONECT    1    2    6   16   16                                       
CONECT    2    3    9    1                                            
CONECT    3   19    4    4    2                                       
CONECT    4    3    3    5                                            
CONECT    5    4   18    6    6                                       
CONECT    6    5    5    7    1                                       
CONECT    7   17   17    6   27                                       
CONECT    8   18   28   29   30                                       
CONECT    9    2   10   10   14                                       
CONECT   10    9    9   11   31                                       
CONECT   11   10   12   12   32                                       
CONECT   12   11   11   13   33                                       
CONECT   13   14   14   12   34                                       
CONECT   14    9   13   13   35                                       
CONECT   15   21   20   19   36                                       
CONECT   16    1    1                                                 
CONECT   17   18    7    7                                            
CONECT   18    8    5   17                                            
CONECT   19   15    3                                                 
CONECT   20   15   37   38   39                                       
CONECT   21   26   26   22   15                                       
CONECT   22   23   23   21   40                                       
CONECT   23   24   22   22   41                                       
CONECT   24   25   25   23   42                                       
CONECT   25   24   24   26   43                                       
CONECT   26   25   21   21   44                                       
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
