COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.099  -1.785  -1.350  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.873  -1.553   0.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.546  -0.268   0.446  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.096   2.151   0.005  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.449   0.764  -0.465  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.993  -0.745  -2.251  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.673   0.527  -1.809  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.979  -2.662   0.978  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.295  -3.901   0.552  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.782  -2.458   2.159  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.591   2.376  -0.151  1.00  0.00           C  
HETATM   12  B   UNL     1      -0.243   3.863   0.213  1.00  0.00           B  
HETATM   13  O   UNL     1      -1.155   4.904  -0.106  1.00  0.00           O  
HETATM   14  O   UNL     1       0.983   4.167   0.861  1.00  0.00           O  
HETATM   15  C   UNL     1       1.207   0.793   0.295  1.00  0.00           C  
HETATM   16  O   UNL     1       1.574   0.931  -0.853  1.00  0.00           O  
HETATM   17  C   UNL     1       1.952  -0.137   1.218  1.00  0.00           C  
HETATM   18  C   UNL     1       3.102  -0.767   0.474  1.00  0.00           C  
HETATM   19  C   UNL     1       4.336  -0.267   0.401  1.00  0.00           C  
HETATM   20  C   UNL     1       5.229  -1.023  -0.340  1.00  0.00           C  
HETATM   21  C   UNL     1       4.719  -2.137  -0.868  1.00  0.00           C  
HETATM   22  S   UNL     1       3.023  -2.278  -0.422  1.00  0.00           S  
HETATM   23  N   UNL     1       0.133   1.472   0.746  1.00  0.00           N  
HETATM   24  H   UNL     1      -3.351  -2.776  -1.696  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.370  -0.082   1.495  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.637   2.886  -0.591  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.373   2.260   1.054  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.167  -0.923  -3.302  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.595   1.338  -2.518  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.353  -4.594   1.224  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.299   2.176  -1.182  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.854   5.785   0.157  1.00  0.00           H  
HETATM   33  H   UNL     1       1.108   5.109   1.044  1.00  0.00           H  
HETATM   34  H   UNL     1       2.335   0.425   2.069  1.00  0.00           H  
HETATM   35  H   UNL     1       1.277  -0.917   1.571  1.00  0.00           H  
HETATM   36  H   UNL     1       4.618   0.658   0.882  1.00  0.00           H  
HETATM   37  H   UNL     1       6.259  -0.732  -0.480  1.00  0.00           H  
HETATM   38  H   UNL     1       5.265  -2.845  -1.473  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.160   1.361   1.664  1.00  0.00           H  
CONECT    1    6    6    2   24                                       
CONECT    2    3    3    1    8                                       
CONECT    3    5    2    2   25                                       
CONECT    4   11    5   26   27                                       
CONECT    5    4    7    7    3                                       
CONECT    6    7    1    1   28                                       
CONECT    7    5    5    6   29                                       
CONECT    8    2   10   10    9                                       
CONECT    9    8   30                                                 
CONECT   10    8    8                                                 
CONECT   11   23   12    4   31                                       
CONECT   12   11   14   13                                            
CONECT   13   12   32                                                 
CONECT   14   12   33                                                 
CONECT   15   16   16   17   23                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   34   35                                       
CONECT   18   17   22   19   19                                       
CONECT   19   18   18   20   36                                       
CONECT   20   21   21   19   37                                       
CONECT   21   22   20   20   38                                       
CONECT   22   18   21                                                 
CONECT   23   15   11   39                                            
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
