COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.746  -5.247   7.387  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.482  -5.740   7.156  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.967  -3.985   7.898  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.877  -3.179   8.173  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.599  -3.659   7.939  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.801  -2.427  10.838  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.122  -2.219  12.163  1.00  0.00           C  
HETATM    8  B   UNL     1      -6.102  -3.176  13.142  1.00  0.00           B1-
HETATM    9  C   UNL     1      -9.394  -4.934   7.432  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.056  -1.157  12.216  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.137   0.131  11.694  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.041   0.972  11.788  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.876   0.527  12.388  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.801  -0.759  12.900  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.893  -1.633  12.816  1.00  0.00           C  
HETATM   16  N   UNL     1     -12.896  -6.075   7.028  1.00  0.00           N1+
HETATM   17  N   UNL     1      -7.834  -2.858   9.827  1.00  0.00           N  
HETATM   18  O   UNL     1      -5.077  -3.985  12.431  1.00  0.00           O  
HETATM   19  O   UNL     1     -12.709  -7.036   6.303  1.00  0.00           O1-
HETATM   20  O   UNL     1     -13.979  -5.800   7.511  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.103  -3.108   7.517  1.00  0.00           O  
HETATM   22  O   UNL     1      -8.638  -1.273   8.147  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.511  -3.404  12.655  1.00  0.00           O  
HETATM   24  S   UNL     1      -8.211  -2.630   8.286  1.00  0.00           S  
HETATM   25  H   UNL     1     -10.343  -6.738   6.766  1.00  0.00           H  
HETATM   26  H   UNL     1     -12.972  -3.633   8.080  1.00  0.00           H  
HETATM   27  H   UNL     1     -11.021  -2.184   8.567  1.00  0.00           H  
HETATM   28  H   UNL     1      -9.578  -3.198  10.947  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.264  -1.482  10.516  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.903  -1.921  12.878  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.391  -5.294   7.254  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.046   0.471  11.220  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.095   1.976  11.393  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.022   1.184  12.458  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.888  -1.092  13.370  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.981  -2.366  10.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.499  -4.523  11.772  1.00  0.00           H  
CONECT    1    3    3   16    2                                       
CONECT    2    1    9    9   25                                       
CONECT    3    4    1    1   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5   24    4    4    9                                       
CONECT    6    7   17   28   29                                       
CONECT    7   23    6   10   30                                       
CONECT    8   18   23   15                                            
CONECT    9    2    2    5   31                                       
CONECT   10    7   11   15   15                                       
CONECT   11   10   12   12   32                                       
CONECT   12   11   11   13   33                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14    8   10   10                                       
CONECT   16    1   19   20   20                                       
CONECT   17    6   24   36                                            
CONECT   18    8   37                                                 
CONECT   19   16                                                      
CONECT   20   16   16                                                 
CONECT   21   24   24                                                 
CONECT   22   24   24                                                 
CONECT   23    8    7                                                 
CONECT   24   17    5   21   21                                       
CONECT   24   22   22                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
