COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.747  -0.575   1.069  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.108  -1.023   1.706  1.00  0.00           C  
HETATM    3  C   UNL     1       0.955  -0.367   0.862  1.00  0.00           C  
HETATM    4  C   UNL     1       2.349  -0.905   0.637  1.00  0.00           C  
HETATM    5  C   UNL     1       2.943  -1.406   1.955  1.00  0.00           C  
HETATM    6  C   UNL     1       2.321  -2.035  -0.394  1.00  0.00           C  
HETATM    7  N   UNL     1       3.135   0.240   0.121  1.00  0.00           N  
HETATM    8  O   UNL     1       4.135  -0.200  -0.852  1.00  0.00           O  
HETATM    9  C   UNL     1       0.814   0.770   0.195  1.00  0.00           C  
HETATM   10  C   UNL     1       2.105   1.089  -0.522  1.00  0.00           C  
HETATM   11  C   UNL     1       2.457   2.569  -0.354  1.00  0.00           C  
HETATM   12  C   UNL     1       1.982   0.739  -2.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.412   1.596   0.160  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.113   1.760  -1.035  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.256   2.532  -1.061  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.707   3.144   0.095  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.016   2.986   1.284  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.876   2.210   1.324  1.00  0.00           C  
HETATM   19  H   UNL     1      -0.014  -0.683   2.737  1.00  0.00           H  
HETATM   20  H   UNL     1       0.013  -2.105   1.667  1.00  0.00           H  
HETATM   21  H   UNL     1       3.955  -1.771   1.783  1.00  0.00           H  
HETATM   22  H   UNL     1       2.968  -0.589   2.676  1.00  0.00           H  
HETATM   23  H   UNL     1       2.327  -2.216   2.346  1.00  0.00           H  
HETATM   24  H   UNL     1       1.838  -1.683  -1.306  1.00  0.00           H  
HETATM   25  H   UNL     1       3.341  -2.346  -0.620  1.00  0.00           H  
HETATM   26  H   UNL     1       1.764  -2.881   0.009  1.00  0.00           H  
HETATM   27  H   UNL     1       3.411   2.773  -0.840  1.00  0.00           H  
HETATM   28  H   UNL     1       1.679   3.181  -0.809  1.00  0.00           H  
HETATM   29  H   UNL     1       2.533   2.806   0.707  1.00  0.00           H  
HETATM   30  H   UNL     1       1.620  -0.284  -2.109  1.00  0.00           H  
HETATM   31  H   UNL     1       1.280   1.422  -2.484  1.00  0.00           H  
HETATM   32  H   UNL     1       2.958   0.828  -2.483  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.761   1.284  -1.938  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.799   2.660  -1.985  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.602   3.748   0.070  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.373   3.466   2.183  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.340   2.083   2.253  1.00  0.00           H  
HETATM   38  S   UNL     1      -1.934  -1.758  -0.594  1.00  0.00           S  
HETATM   39  C   UNL     1      -2.270  -3.415   0.065  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.080  -1.246  -1.261  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.651  -1.714  -1.203  1.00  0.00           O  
HETATM   42  H   UNL     1      -3.186  -3.393   0.654  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.385  -4.118  -0.760  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.439  -3.730   0.697  1.00  0.00           H  
CONECT    1    2   38                                                 
CONECT    2    3    1   19   20                                       
CONECT    3    4    9    9    2                                       
CONECT    4    7    5    6    3                                       
CONECT    5    4   21   22   23                                       
CONECT    6    4   24   25   26                                       
CONECT    7    8   10    4                                            
CONECT    8    7                                                      
CONECT    9   10   13    3    3                                       
CONECT   10   11   12    7    9                                       
CONECT   11   10   27   28   29                                       
CONECT   12   10   30   31   32                                       
CONECT   13    9   14   14   18                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   18   18   16   36                                       
CONECT   18   13   17   17   37                                       
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38    1   39   40   40                                       
CONECT   38   41   41                                                 
CONECT   39   38   42   43   44                                       
CONECT   40   38   38                                                 
CONECT   41   38   38                                                 
CONECT   42   39                                                      
CONECT   43   39                                                      
CONECT   44   39                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
