COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.435  -0.361   0.043  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.642  -0.936   1.021  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.268  -0.842   0.943  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.678  -0.166  -0.126  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.482   0.410  -1.109  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.855   0.310  -1.019  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.203  -0.061  -0.215  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.414  -1.185  -0.394  1.00  0.00           C  
HETATM    9  C   UNL     1       1.199   2.567  -0.101  1.00  0.00           C  
HETATM   10  C   UNL     1       3.650  -1.121  -0.660  1.00  0.00           C  
HETATM   11  C   UNL     1       7.113  -0.463  -2.012  1.00  0.00           C  
HETATM   12  C   UNL     1       7.829  -0.246  -0.853  1.00  0.00           C  
HETATM   13  C   UNL     1       7.196  -0.312   0.385  1.00  0.00           C  
HETATM   14  C   UNL     1       5.835  -0.591   0.429  1.00  0.00           C  
HETATM   15  C   UNL     1       5.426  -0.580   1.889  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.628  -0.387  -1.201  1.00  0.00           O  
HETATM   17  S   UNL     1      -7.189  -0.491   0.147  1.00  0.00           S  
HETATM   18  O   UNL     1      -7.409  -1.676   0.899  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.696   0.969   1.096  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.529   1.234  -0.124  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.925   2.478   0.035  1.00  0.00           N  
HETATM   22  N   UNL     1       0.100   3.258   0.048  1.00  0.00           N  
HETATM   23  N   UNL     1       0.845   1.256  -0.216  1.00  0.00           N  
HETATM   24  C   UNL     1       1.528   0.088  -0.387  1.00  0.00           C  
HETATM   25  N   UNL     1       0.910  -1.067  -0.473  1.00  0.00           N  
HETATM   26  N   UNL     1       2.897   0.122  -0.477  1.00  0.00           N  
HETATM   27  C   UNL     1       5.123  -0.811  -0.729  1.00  0.00           C  
HETATM   28  C   UNL     1       6.632   0.125   2.554  1.00  0.00           C  
HETATM   29  O   UNL     1       7.706  -0.152   1.637  1.00  0.00           O  
HETATM   30  C   UNL     1       5.760  -0.742  -1.956  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.101  -1.458   1.847  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.651  -1.290   1.707  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.031   0.935  -1.938  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.479   0.756  -1.780  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.874  -2.159  -0.471  1.00  0.00           H  
HETATM   36  H   UNL     1       2.204   2.962  -0.128  1.00  0.00           H  
HETATM   37  H   UNL     1       3.458  -1.789   0.179  1.00  0.00           H  
HETATM   38  H   UNL     1       3.337  -1.602  -1.587  1.00  0.00           H  
HETATM   39  H   UNL     1       7.611  -0.410  -2.969  1.00  0.00           H  
HETATM   40  H   UNL     1       8.885  -0.024  -0.906  1.00  0.00           H  
HETATM   41  H   UNL     1       4.512  -0.003   2.030  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.780   0.970   1.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.227   0.943   2.080  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.385   1.871   0.569  1.00  0.00           H  
HETATM   45  H   UNL     1       3.366   0.969  -0.420  1.00  0.00           H  
HETATM   46  H   UNL     1       6.456   1.197   2.635  1.00  0.00           H  
HETATM   47  H   UNL     1       5.203  -0.910  -2.866  1.00  0.00           H  
HETATM   48  H   UNL     1       5.308  -1.594   2.272  1.00  0.00           H  
HETATM   49  H   UNL     1       6.842  -0.308   3.532  1.00  0.00           H  
CONECT    1    6   17    2    2                                       
CONECT    2    1    1    3   31                                       
CONECT    3    4    4    2   32                                       
CONECT    4    5    7    3    3                                       
CONECT    5    6    6    4   33                                       
CONECT    6    5    5    1   34                                       
CONECT    7    4    8    8   20                                       
CONECT    8    7    7   25   35                                       
CONECT    9   22   22   23   36                                       
CONECT   10   26   27   37   38                                       
CONECT   11   30   30   12   39                                       
CONECT   12   13   13   11   40                                       
CONECT   13   14   29   12   12                                       
CONECT   14   15   27   27   13                                       
CONECT   15   28   14   41   48                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   19    1                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   42   43   44                                       
CONECT   20    7   21   21   23                                       
CONECT   21   20   20   22                                            
CONECT   22   21    9    9                                            
CONECT   23   20    9   24                                            
CONECT   24   25   25   23   26                                       
CONECT   25    8   24   24                                            
CONECT   26   24   10   45                                            
CONECT   27   10   14   14   30                                       
CONECT   28   15   29   46   49                                       
CONECT   29   28   13                                                 
CONECT   30   27   11   11   47                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   26                                                      
CONECT   46   28                                                      
CONECT   47   30                                                      
CONECT   48   15                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
