COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.190   0.800  -0.264  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.194   0.105  -0.166  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.965   0.661  -0.080  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.827   2.055  -0.105  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.853   2.777   1.081  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.717   4.152   1.054  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.555   4.808  -0.153  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.529   4.092  -1.335  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.659   2.717  -1.314  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.856  -0.131   0.030  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.936  -1.442   0.056  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.118  -2.067  -0.024  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.496  -3.374  -0.022  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.598  -4.527   0.080  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.891  -3.428  -0.134  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.371  -2.218  -0.203  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.296  -1.309  -0.132  1.00  0.00           C  
HETATM   18  S   UNL     1       0.729   0.631   0.139  1.00  0.00           S  
HETATM   19  C   UNL     1       1.777  -0.840   0.262  1.00  0.00           C  
HETATM   20  C   UNL     1       1.471  -1.576   1.567  1.00  0.00           C  
HETATM   21  C   UNL     1       3.226  -0.427   0.244  1.00  0.00           C  
HETATM   22  C   UNL     1       3.717   0.410   1.228  1.00  0.00           C  
HETATM   23  C   UNL     1       5.048   0.786   1.219  1.00  0.00           C  
HETATM   24  C   UNL     1       5.890   0.325   0.225  1.00  0.00           C  
HETATM   25  C   UNL     1       5.399  -0.515  -0.764  1.00  0.00           C  
HETATM   26  O   UNL     1       6.225  -0.970  -1.742  1.00  0.00           O  
HETATM   27  C   UNL     1       4.064  -0.891  -0.752  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.980   2.265   2.023  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.737   4.714   1.976  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.449   5.883  -0.171  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.403   4.607  -2.275  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.635   2.157  -2.237  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.459  -4.787   1.129  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.033  -5.374  -0.450  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.634  -4.277  -0.364  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.414  -1.957  -0.295  1.00  0.00           H  
HETATM   37  H   UNL     1       1.577  -1.500  -0.583  1.00  0.00           H  
HETATM   38  H   UNL     1       1.671  -0.916   2.412  1.00  0.00           H  
HETATM   39  H   UNL     1       0.423  -1.875   1.580  1.00  0.00           H  
HETATM   40  H   UNL     1       2.102  -2.462   1.641  1.00  0.00           H  
HETATM   41  H   UNL     1       3.061   0.772   2.006  1.00  0.00           H  
HETATM   42  H   UNL     1       5.429   1.441   1.988  1.00  0.00           H  
HETATM   43  H   UNL     1       6.929   0.619   0.218  1.00  0.00           H  
HETATM   44  H   UNL     1       6.666  -1.804  -1.528  1.00  0.00           H  
HETATM   45  H   UNL     1       3.681  -1.549  -1.518  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   17    1    1                                       
CONECT    3   10    4    2                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8    9    9    7   31                                       
CONECT    9    4    8    8   32                                       
CONECT   10   18   11   11    3                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   17   17                                       
CONECT   13   14   12   15                                            
CONECT   14   13   33   34   35                                       
CONECT   15   13   16   16                                            
CONECT   16   15   15   17   36                                       
CONECT   17   12   12   16    2                                       
CONECT   18   19   10                                                 
CONECT   19   21   20   18   37                                       
CONECT   20   19   38   39   40                                       
CONECT   21   22   22   27   19                                       
CONECT   22   23   21   21   41                                       
CONECT   23   24   24   22   42                                       
CONECT   24   23   23   25   43                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   44                                                 
CONECT   27   25   25   21   45                                       
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
