COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.245   2.585  -0.110  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.152   1.774  -0.134  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.346   0.380  -0.150  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.128  -2.112  -0.939  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.331   0.439  -1.527  1.00  0.00           O  
HETATM    6  S   UNL     1      -1.615   0.067  -0.185  1.00  0.00           S  
HETATM    7  O   UNL     1      -1.500   0.963   0.911  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.275  -0.524  -0.174  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.527  -1.862  -0.187  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.834  -2.347  -0.178  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.899  -1.498  -0.155  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.678  -0.112  -0.140  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.735   0.812  -0.116  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.479   2.099  -0.096  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.634  -1.222   0.160  1.00  0.00           N  
HETATM   16  C   UNL     1       1.318  -1.888  -1.042  1.00  0.00           C  
HETATM   17  C   UNL     1       2.084  -2.165   0.247  1.00  0.00           C  
HETATM   18  N   UNL     1       2.106  -0.913   0.956  1.00  0.00           N  
HETATM   19  C   UNL     1       3.435  -0.652   1.524  1.00  0.00           C  
HETATM   20  C   UNL     1       4.427  -0.449   0.407  1.00  0.00           C  
HETATM   21  C   UNL     1       5.242  -1.492   0.008  1.00  0.00           C  
HETATM   22  C   UNL     1       6.152  -1.305  -1.016  1.00  0.00           C  
HETATM   23  C   UNL     1       6.246  -0.076  -1.642  1.00  0.00           C  
HETATM   24  C   UNL     1       5.430   0.967  -1.243  1.00  0.00           C  
HETATM   25  C   UNL     1       4.517   0.779  -0.222  1.00  0.00           C  
HETATM   26  B   UNL     1       3.599   1.952   0.226  1.00  0.00           B1-
HETATM   27  O   UNL     1       2.596   1.469   1.019  1.00  0.00           O  
HETATM   28  O   UNL     1       4.336   2.864   0.929  1.00  0.00           O  
HETATM   29  C   UNL     1       1.055  -0.848   2.009  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.253  -1.508   1.515  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.103   3.656  -0.098  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.156   2.191  -0.141  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.326  -3.156  -0.694  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.612  -1.853  -1.881  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.702  -2.559  -0.206  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.005  -3.413  -0.189  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.906  -1.888  -0.149  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.757   0.463  -0.104  1.00  0.00           H  
HETATM   39  H   UNL     1       1.714  -2.532  -1.827  1.00  0.00           H  
HETATM   40  H   UNL     1       1.488  -0.850  -1.330  1.00  0.00           H  
HETATM   41  H   UNL     1       1.568  -2.923   0.836  1.00  0.00           H  
HETATM   42  H   UNL     1       3.100  -2.488   0.020  1.00  0.00           H  
HETATM   43  H   UNL     1       3.397   0.244   2.143  1.00  0.00           H  
HETATM   44  H   UNL     1       3.743  -1.502   2.133  1.00  0.00           H  
HETATM   45  H   UNL     1       5.169  -2.452   0.497  1.00  0.00           H  
HETATM   46  H   UNL     1       6.789  -2.120  -1.327  1.00  0.00           H  
HETATM   47  H   UNL     1       6.956   0.069  -2.442  1.00  0.00           H  
HETATM   48  H   UNL     1       5.504   1.927  -1.731  1.00  0.00           H  
HETATM   49  H   UNL     1       1.911   0.986   0.536  1.00  0.00           H  
HETATM   50  H   UNL     1       1.406  -1.370   2.899  1.00  0.00           H  
HETATM   51  H   UNL     1       0.859   0.195   2.257  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.063  -1.187   2.170  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.148  -2.588   1.618  1.00  0.00           H  
HETATM   54  O   UNL     1       3.059   2.555  -0.875  1.00  0.00           O  
HETATM   55  H   UNL     1       5.068   3.249   0.427  1.00  0.00           H  
HETATM   56  H   UNL     1       2.474   3.297  -0.670  1.00  0.00           H  
CONECT    1   14    2    2   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3   12   12    2    8                                       
CONECT    4   16   15   33   34                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    8   15                                       
CONECT    6    7    7                                                 
CONECT    7    6    6                                                 
CONECT    8    3    9    9    6                                       
CONECT    9   10    8    8   35                                       
CONECT   10   11   11    9   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   13   11    3    3                                       
CONECT   13   14   14   12   38                                       
CONECT   14   13   13    1                                            
CONECT   15    6    4   30                                            
CONECT   16    4   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   29   19                                            
CONECT   19   18   20   43   44                                       
CONECT   20   25   19   21   21                                       
CONECT   21   20   20   22   45                                       
CONECT   22   23   23   21   46                                       
CONECT   23   24   22   22   47                                       
CONECT   24   25   25   23   48                                       
CONECT   25   26   24   24   20                                       
CONECT   26   28   27   25   54                                       
CONECT   27   26   49                                                 
CONECT   28   26   55                                                 
CONECT   29   30   18   50   51                                       
CONECT   30   15   29   52   53                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   26   56                                                 
CONECT   55   28                                                      
CONECT   56   54                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
