COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.692   0.203   0.074  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.911   0.091  -1.062  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.738  -0.634  -1.027  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.340  -1.255   0.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.132  -1.138   1.301  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.301  -0.405   1.253  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.086  -2.039   0.201  1.00  0.00           C  
HETATM    8  C   UNL     1       1.028  -0.247  -1.040  1.00  0.00           C  
HETATM    9  C   UNL     1       2.222   0.541  -0.491  1.00  0.00           C  
HETATM   10  C   UNL     1       3.504  -0.265  -0.711  1.00  0.00           C  
HETATM   11  C   UNL     1       3.412  -1.591   0.046  1.00  0.00           C  
HETATM   12  C   UNL     1       2.231  -2.403  -0.497  1.00  0.00           C  
HETATM   13  C   UNL     1       4.685   0.522  -0.203  1.00  0.00           C  
HETATM   14  C   UNL     1       4.750   0.888   1.128  1.00  0.00           C  
HETATM   15  C   UNL     1       5.833   1.610   1.594  1.00  0.00           C  
HETATM   16  C   UNL     1       6.851   1.965   0.729  1.00  0.00           C  
HETATM   17  C   UNL     1       6.786   1.599  -0.602  1.00  0.00           C  
HETATM   18  C   UNL     1       5.705   0.873  -1.068  1.00  0.00           C  
HETATM   19  S   UNL     1      -5.189   1.132   0.021  1.00  0.00           S  
HETATM   20  O   UNL     1      -5.461   1.531   1.357  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.052   2.053  -1.052  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.051  -3.096   0.799  1.00  0.00           O  
HETATM   23  N   UNL     1       1.017  -1.580  -0.423  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.399   0.087  -0.410  1.00  0.00           N  
HETATM   25  H   UNL     1      -3.220   0.571  -1.978  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.129  -0.722  -1.915  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.830  -1.616   2.221  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.915  -0.314   2.137  1.00  0.00           H  
HETATM   29  H   UNL     1       0.103   0.276  -0.798  1.00  0.00           H  
HETATM   30  H   UNL     1       1.122  -0.346  -2.122  1.00  0.00           H  
HETATM   31  H   UNL     1       2.298   1.496  -1.012  1.00  0.00           H  
HETATM   32  H   UNL     1       2.082   0.717   0.575  1.00  0.00           H  
HETATM   33  H   UNL     1       3.631  -0.462  -1.776  1.00  0.00           H  
HETATM   34  H   UNL     1       4.335  -2.154  -0.093  1.00  0.00           H  
HETATM   35  H   UNL     1       3.261  -1.395   1.107  1.00  0.00           H  
HETATM   36  H   UNL     1       2.423  -2.678  -1.535  1.00  0.00           H  
HETATM   37  H   UNL     1       2.102  -3.305   0.102  1.00  0.00           H  
HETATM   38  H   UNL     1       3.955   0.610   1.804  1.00  0.00           H  
HETATM   39  H   UNL     1       5.884   1.896   2.634  1.00  0.00           H  
HETATM   40  H   UNL     1       7.697   2.530   1.093  1.00  0.00           H  
HETATM   41  H   UNL     1       7.581   1.877  -1.278  1.00  0.00           H  
HETATM   42  H   UNL     1       5.656   0.584  -2.107  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.196  -0.847  -0.578  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.310   0.408  -0.495  1.00  0.00           H  
CONECT    1    6    6    2   19                                       
CONECT    2    3    3    1   25                                       
CONECT    3    4    2    2   26                                       
CONECT    4    7    5    5    3                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5    1    1   28                                       
CONECT    7   22   22   23    4                                       
CONECT    8    9   23   29   30                                       
CONECT    9    8   10   31   32                                       
CONECT   10    9   13   11   33                                       
CONECT   11   10   12   34   35                                       
CONECT   12   23   11   36   37                                       
CONECT   13   14   10   18   18                                       
CONECT   14   15   15   13   38                                       
CONECT   15   14   14   16   39                                       
CONECT   16   15   17   17   40                                       
CONECT   17   16   16   18   41                                       
CONECT   18   13   13   17   42                                       
CONECT   19    1   24   21   21                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    7    7                                                 
CONECT   23    8    7   12                                            
CONECT   24   19   43   44                                            
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
