COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.103  -3.139   0.017  1.00  0.00           C  
HETATM    2  C   UNL     1       0.995  -2.093   0.205  1.00  0.00           C  
HETATM    3  C   UNL     1       0.533  -0.794   0.279  1.00  0.00           C  
HETATM    4  N   UNL     1       1.436   0.260   0.469  1.00  0.00           N  
HETATM    5  C   UNL     1       2.723   0.121   0.091  1.00  0.00           C  
HETATM    6  O   UNL     1       3.076  -0.877  -0.505  1.00  0.00           O  
HETATM    7  O   UNL     1       3.616   1.088   0.375  1.00  0.00           O  
HETATM    8  C   UNL     1       4.983   0.871  -0.062  1.00  0.00           C  
HETATM    9  C   UNL     1       5.532  -0.399   0.591  1.00  0.00           C  
HETATM   10  C   UNL     1       5.014   0.717  -1.584  1.00  0.00           C  
HETATM   11  C   UNL     1       5.845   2.068   0.347  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.840  -0.528   0.164  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.719   0.995   0.217  1.00  0.00           S  
HETATM   14  C   UNL     1      -3.260   0.191  -0.015  1.00  0.00           C  
HETATM   15  B   UNL     1      -4.630   0.925  -0.086  1.00  0.00           B1-
HETATM   16  O   UNL     1      -4.435   2.270   0.060  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.217   0.678  -1.295  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.442   0.471   0.916  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.109  -1.114  -0.121  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.736  -1.582  -0.025  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.232  -2.900  -0.102  1.00  0.00           C  
HETATM   22  H   UNL     1       0.472  -4.153  -0.040  1.00  0.00           H  
HETATM   23  H   UNL     1       2.052  -2.296   0.294  1.00  0.00           H  
HETATM   24  H   UNL     1       1.136   1.090   0.871  1.00  0.00           H  
HETATM   25  H   UNL     1       6.558  -0.562   0.263  1.00  0.00           H  
HETATM   26  H   UNL     1       5.510  -0.289   1.675  1.00  0.00           H  
HETATM   27  H   UNL     1       4.918  -1.251   0.299  1.00  0.00           H  
HETATM   28  H   UNL     1       4.623   1.622  -2.049  1.00  0.00           H  
HETATM   29  H   UNL     1       6.041   0.554  -1.912  1.00  0.00           H  
HETATM   30  H   UNL     1       4.400  -0.135  -1.875  1.00  0.00           H  
HETATM   31  H   UNL     1       5.454   2.973  -0.118  1.00  0.00           H  
HETATM   32  H   UNL     1       5.823   2.177   1.431  1.00  0.00           H  
HETATM   33  H   UNL     1       6.872   1.905   0.019  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.866   2.661  -0.618  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.077   1.105  -1.410  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.624  -0.477   0.876  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.943  -1.785  -0.268  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.913  -3.725  -0.248  1.00  0.00           H  
CONECT    1    2    2   21   22                                       
CONECT    2    3    1    1   23                                       
CONECT    3    4   12   12    2                                       
CONECT    4    5    3   24                                            
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5                                                 
CONECT    8    9   11   10    7                                       
CONECT    9    8   25   26   27                                       
CONECT   10    8   28   29   30                                       
CONECT   11    8   31   32   33                                       
CONECT   12   13    3    3   20                                       
CONECT   13   14   12                                                 
CONECT   14   13   15   19   19                                       
CONECT   15   17   18   16   14                                       
CONECT   16   15   34                                                 
CONECT   17   15   35                                                 
CONECT   18   15   36                                                 
CONECT   19   14   14   20   37                                       
CONECT   20   12   19   21   21                                       
CONECT   21   20   20    1   38                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
