COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.351   2.729   1.811  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.465   2.151   0.510  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.073   1.782  -0.035  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.057   0.316  -0.227  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.474  -0.082  -0.425  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.238   0.814   0.582  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.691   1.005   0.143  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.565  -0.582   0.240  1.00  0.00           S  
HETATM    9  C   UNL     1      -6.241  -0.159  -0.310  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.084  -1.366  -0.285  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.757  -2.328  -0.266  1.00  0.00           C  
HETATM   12  C   UNL     1       0.761  -0.054  -1.390  1.00  0.00           C  
HETATM   13  C   UNL     1       2.214   0.200  -1.083  1.00  0.00           C  
HETATM   14  C   UNL     1       3.101  -0.661  -0.308  1.00  0.00           C  
HETATM   15  N   UNL     1       2.964  -1.830   0.325  1.00  0.00           N  
HETATM   16  C   UNL     1       2.941   1.262  -1.477  1.00  0.00           C  
HETATM   17  N   UNL     1       4.218   1.149  -1.011  1.00  0.00           N  
HETATM   18  C   UNL     1       4.350  -0.016  -0.292  1.00  0.00           C  
HETATM   19  C   UNL     1       5.401  -0.632   0.397  1.00  0.00           C  
HETATM   20  N   UNL     1       6.654  -0.043   0.448  1.00  0.00           N  
HETATM   21  N   UNL     1       5.172  -1.793   1.001  1.00  0.00           N  
HETATM   22  C   UNL     1       3.984  -2.369   0.955  1.00  0.00           C  
HETATM   23  H   UNL     1      -0.838   3.549   1.835  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.965   2.843  -0.168  1.00  0.00           H  
HETATM   25  H   UNL     1       0.098   2.283  -0.988  1.00  0.00           H  
HETATM   26  H   UNL     1       0.695   2.074   0.681  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.794   0.127  -1.446  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.615  -1.136  -0.185  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.189   0.394   1.587  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.177   1.727   0.799  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.716   1.371  -0.883  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.663   0.592   0.357  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.202   0.236  -1.324  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.358  -3.188  -0.249  1.00  0.00           H  
HETATM   35  H   UNL     1       0.616  -1.111  -1.614  1.00  0.00           H  
HETATM   36  H   UNL     1       0.461   0.544  -2.250  1.00  0.00           H  
HETATM   37  H   UNL     1       2.569   2.083  -2.072  1.00  0.00           H  
HETATM   38  H   UNL     1       4.928   1.792  -1.165  1.00  0.00           H  
HETATM   39  H   UNL     1       6.810   0.805   0.004  1.00  0.00           H  
HETATM   40  H   UNL     1       7.376  -0.478   0.928  1.00  0.00           H  
HETATM   41  H   UNL     1       3.844  -3.315   1.458  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    6    1    3   24                                       
CONECT    3    4    2   25   26                                       
CONECT    4    5   12    3                                            
CONECT    5    6    4   27   28                                       
CONECT    6    5    7    2   29                                       
CONECT    7    8    6   30   31                                       
CONECT    8    9    7                                                 
CONECT    9   10    8   32   33                                       
CONECT   10   11   11   11    9                                       
CONECT   11   10   10   10   34                                       
CONECT   12    4   13   35   36                                       
CONECT   13   16   16   12   14                                       
CONECT   14   13   18   18   15                                       
CONECT   15   14   22   22                                            
CONECT   16   17   13   13   37                                       
CONECT   17   16   18   38                                            
CONECT   18   17   14   14   19                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   39   40                                            
CONECT   21   19   19   22                                            
CONECT   22   15   15   21   41                                       
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
