COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.220   0.051   0.647  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.572  -0.999  -0.149  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.322  -1.262  -1.384  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.176  -0.650  -0.445  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.543  -1.753  -1.295  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.398  -0.507   0.865  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.034  -0.054   0.576  1.00  0.00           N  
HETATM    8  C   UNL     1       0.175   1.313   0.411  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.711   2.203   1.008  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.537   3.566   0.862  1.00  0.00           C  
HETATM   11  C   UNL     1       0.521   4.055   0.119  1.00  0.00           C  
HETATM   12  C   UNL     1       1.408   3.179  -0.478  1.00  0.00           C  
HETATM   13  C   UNL     1       1.241   1.808  -0.333  1.00  0.00           C  
HETATM   14  S   UNL     1       2.391   0.714  -1.095  1.00  0.00           S  
HETATM   15  C   UNL     1       2.128  -0.807  -0.248  1.00  0.00           C  
HETATM   16  C   UNL     1       0.966  -1.020   0.490  1.00  0.00           C  
HETATM   17  C   UNL     1       0.790  -2.231   1.151  1.00  0.00           C  
HETATM   18  C   UNL     1       1.757  -3.215   1.075  1.00  0.00           C  
HETATM   19  C   UNL     1       2.908  -3.002   0.340  1.00  0.00           C  
HETATM   20  C   UNL     1       3.099  -1.797  -0.313  1.00  0.00           C  
HETATM   21  H   UNL     1      -5.263  -0.214   0.819  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.708   0.150   1.604  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.170   0.998   0.109  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.310  -0.371  -2.013  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.860  -2.091  -1.921  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.352  -1.518  -1.137  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.145   0.292  -0.991  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.098  -1.856  -2.228  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.508  -1.495  -1.515  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.574  -2.696  -0.749  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.894   0.223   1.505  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.360  -1.470   1.373  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.540   1.827   1.590  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.229   4.251   1.329  1.00  0.00           H  
HETATM   35  H   UNL     1       0.654   5.121   0.005  1.00  0.00           H  
HETATM   36  H   UNL     1       2.234   3.562  -1.058  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.108  -2.403   1.727  1.00  0.00           H  
HETATM   38  H   UNL     1       1.614  -4.153   1.592  1.00  0.00           H  
HETATM   39  H   UNL     1       3.663  -3.773   0.283  1.00  0.00           H  
HETATM   40  H   UNL     1       4.000  -1.633  -0.886  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    4    3                                            
CONECT    3    2   24   25   26                                       
CONECT    4    6    5    2   27                                       
CONECT    5    4   28   29   30                                       
CONECT    6    7    4   31   32                                       
CONECT    7   16    6    8                                            
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   12   12   10   35                                       
CONECT   12   13   11   11   36                                       
CONECT   13   14    8    8   12                                       
CONECT   14   15   13                                                 
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15    7                                       
CONECT   17   18   16   16   37                                       
CONECT   18   19   19   17   38                                       
CONECT   19   18   18   20   39                                       
CONECT   20   19   15   15   40                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
