COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.580   1.176   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.528   1.863  -1.198  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.426   3.242  -1.200  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.080  -1.232   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.507  -2.243  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.437  -1.486   1.198  1.00  0.00           C  
HETATM    7  C   UNL     1       4.142  -0.831  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1       5.495  -0.961  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       6.052   0.339   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.256   2.612   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.377   3.933  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.430   3.245   1.194  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.531   1.866   1.196  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.717  -0.581   0.002  1.00  0.00           S  
HETATM   15  O   UNL     1      -5.290  -0.937   1.253  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.293  -0.940  -1.247  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.437  -1.484  -1.197  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.150  -1.989  -1.198  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.152  -1.997   1.197  1.00  0.00           C  
HETATM   20  C   UNL     1       0.896  -2.794  -0.002  1.00  0.00           C  
HETATM   21  N   UNL     1       1.855  -1.687  -0.001  1.00  0.00           N  
HETATM   22  C   UNL     1       3.179  -1.942  -0.002  1.00  0.00           C  
HETATM   23  O   UNL     1       3.576  -3.092  -0.003  1.00  0.00           O  
HETATM   24  C   UNL     1       7.355   0.844   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       7.558   2.145   0.001  1.00  0.00           N  
HETATM   26  C   UNL     1       6.562   3.016   0.002  1.00  0.00           C  
HETATM   27  C   UNL     1       4.970   1.248   0.001  1.00  0.00           C  
HETATM   28  N   UNL     1       3.816   0.513   0.005  1.00  0.00           N  
HETATM   29  H   UNL     1      -4.566   1.324  -2.133  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.384   3.779  -2.136  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.937  -1.285   2.133  1.00  0.00           H  
HETATM   32  H   UNL     1       6.046  -1.890  -0.002  1.00  0.00           H  
HETATM   33  H   UNL     1       4.458   3.340   0.004  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.297   5.010  -0.005  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.391   3.785   2.129  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.572   1.329   2.132  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.940  -1.285  -2.132  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.646  -2.181  -2.133  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.649  -2.195   2.132  1.00  0.00           H  
HETATM   40  H   UNL     1       1.047  -3.405   0.888  1.00  0.00           H  
HETATM   41  H   UNL     1       1.046  -3.404  -0.892  1.00  0.00           H  
HETATM   42  H   UNL     1       1.538  -0.770  -0.001  1.00  0.00           H  
HETATM   43  H   UNL     1       8.196   0.167  -0.001  1.00  0.00           H  
HETATM   44  H   UNL     1       6.787   4.072   0.003  1.00  0.00           H  
HETATM   45  H   UNL     1       2.916   0.875   0.006  1.00  0.00           H  
CONECT    1    2    2   13   14                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2   11   11   30                                       
CONECT    4    6    6   14   17                                       
CONECT    5   18   19   19   20                                       
CONECT    6    4    4   19   31                                       
CONECT    7    8    8   22   28                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   24   24   27                                       
CONECT   10   26   27   27   33                                       
CONECT   11    3    3   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13    1   12   12   36                                       
CONECT   14    1    4   15   15                                       
CONECT   14   16   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17    4   18   18   37                                       
CONECT   18    5   17   17   38                                       
CONECT   19    5    5    6   39                                       
CONECT   20    5   21   40   41                                       
CONECT   21   20   22   42                                            
CONECT   22    7   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24    9    9   25   43                                       
CONECT   25   24   26   26                                            
CONECT   26   10   25   25   44                                       
CONECT   27    9   10   10   28                                       
CONECT   28    7   27   45                                            
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
