COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.382  -0.857  -0.015  1.00  0.00           N  
HETATM    2  N   UNL     1       0.581   1.472   0.013  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.758   1.627   0.008  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.586   0.461  -0.011  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.964  -0.783  -0.021  1.00  0.00           C  
HETATM    6  C   UNL     1       5.176  -2.694  -0.010  1.00  0.00           C  
HETATM    7  C   UNL     1       4.550  -1.324   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1       3.178  -1.195  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       5.356  -0.193   0.024  1.00  0.00           C  
HETATM   10  O   UNL     1       6.707  -0.324   0.034  1.00  0.00           O  
HETATM   11  C   UNL     1       4.783   1.073   0.035  1.00  0.00           C  
HETATM   12  C   UNL     1       5.663   2.297   0.058  1.00  0.00           C  
HETATM   13  C   UNL     1       3.413   1.212   0.024  1.00  0.00           C  
HETATM   14  C   UNL     1       2.598   0.076   0.007  1.00  0.00           C  
HETATM   15  C   UNL     1       1.129   0.219   0.001  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.180  -2.051  -0.042  1.00  0.00           S  
HETATM   17  C   UNL     1      -3.496  -0.892  -0.038  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.972  -1.249  -0.051  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.745  -0.065   0.352  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.188  -0.319   0.249  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.358   1.109  -0.444  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.963   1.573  -0.016  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.037   0.363  -0.022  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.254   2.740   0.019  1.00  0.00           O  
HETATM   25  H   UNL     1       1.157   2.252   0.025  1.00  0.00           H  
HETATM   26  H   UNL     1       5.318  -3.038   1.015  1.00  0.00           H  
HETATM   27  H   UNL     1       4.523  -3.388  -0.539  1.00  0.00           H  
HETATM   28  H   UNL     1       6.142  -2.648  -0.514  1.00  0.00           H  
HETATM   29  H   UNL     1       2.552  -2.075  -0.017  1.00  0.00           H  
HETATM   30  H   UNL     1       7.107  -0.351  -0.846  1.00  0.00           H  
HETATM   31  H   UNL     1       5.884   2.605  -0.964  1.00  0.00           H  
HETATM   32  H   UNL     1       5.148   3.105   0.578  1.00  0.00           H  
HETATM   33  H   UNL     1       6.593   2.066   0.577  1.00  0.00           H  
HETATM   34  H   UNL     1       2.968   2.196   0.033  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.266  -1.554  -1.055  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.157  -2.063   0.650  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.446  -1.194   0.845  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.736   0.548   0.618  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.452  -0.499  -0.793  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.345   0.844  -1.501  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.076   1.913  -0.279  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.594   2.322  -0.716  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.008   1.997   0.987  1.00  0.00           H  
CONECT    1    5   15   15                                            
CONECT    2   15    3   25                                            
CONECT    3    4    2   24   24                                       
CONECT    4    5    5   23    3                                       
CONECT    5   16    1    4    4                                       
CONECT    6    7   26   27   28                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   14   29                                       
CONECT    9    7   10   11   11                                       
CONECT   10    9   30                                                 
CONECT   11    9    9   13   12                                       
CONECT   12   11   31   32   33                                       
CONECT   13   14   14   11   34                                       
CONECT   14    8   15   13   13                                       
CONECT   15    1    1   14    2                                       
CONECT   16   17    5                                                 
CONECT   17   16   18   23   23                                       
CONECT   18   17   19   35   36                                       
CONECT   19   18   20   21                                            
CONECT   20   19   37   38   39                                       
CONECT   21   19   22   40   41                                       
CONECT   22   23   21   42   43                                       
CONECT   23   17   17    4   22                                       
CONECT   24    3    3                                                 
CONECT   25    2                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
