COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.389  -3.529  -0.809  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.198  -2.922  -1.760  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.808  -2.757   0.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.394  -1.554  -1.684  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.014  -1.454   0.226  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.778  -0.838  -0.663  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.966   0.536  -0.575  1.00  0.00           N  
HETATM    8  S   UNL     1      -4.236   1.396   0.637  1.00  0.00           S  
HETATM    9  C   UNL     1      -1.859   2.241  -0.403  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.496   1.292   0.376  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.498   2.166  -0.612  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.774   0.261   0.951  1.00  0.00           C  
HETATM   13  C   UNL     1       0.238   1.128  -0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.413   0.173   0.752  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.591   2.757   0.434  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.503   0.695   1.844  1.00  0.00           O  
HETATM   17  N   UNL     1       1.588   1.047  -0.237  1.00  0.00           N  
HETATM   18  N   UNL     1       2.264   0.088   0.299  1.00  0.00           N  
HETATM   19  C   UNL     1       3.608   0.007   0.097  1.00  0.00           C  
HETATM   20  C   UNL     1       4.260   0.963  -0.691  1.00  0.00           C  
HETATM   21  C   UNL     1       4.350  -1.034   0.683  1.00  0.00           C  
HETATM   22  C   UNL     1       5.618   0.877  -0.892  1.00  0.00           C  
HETATM   23  C   UNL     1       5.717  -1.107   0.471  1.00  0.00           C  
HETATM   24  C   UNL     1       6.350  -0.157  -0.316  1.00  0.00           C  
HETATM   25  N   UNL     1       3.713  -1.986   1.473  1.00  0.00           N  
HETATM   26  C   UNL     1       6.518  -2.220   1.097  1.00  0.00           C  
HETATM   27  O   UNL     1       7.690  -0.232  -0.521  1.00  0.00           O  
HETATM   28  C   UNL     1       6.317   1.908  -1.741  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.219  -4.595  -0.838  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.663  -3.504  -2.542  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.178  -3.225   0.919  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.017  -1.050  -2.408  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.525   0.992  -1.224  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.430   3.041  -0.853  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.002   2.908  -1.220  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.279  -0.477   1.558  1.00  0.00           H  
HETATM   37  H   UNL     1       0.150  -0.632   1.202  1.00  0.00           H  
HETATM   38  H   UNL     1       3.696   1.767  -1.140  1.00  0.00           H  
HETATM   39  H   UNL     1       2.756  -1.933   1.620  1.00  0.00           H  
HETATM   40  H   UNL     1       4.227  -2.704   1.876  1.00  0.00           H  
HETATM   41  H   UNL     1       6.551  -3.071   0.416  1.00  0.00           H  
HETATM   42  H   UNL     1       7.532  -1.873   1.293  1.00  0.00           H  
HETATM   43  H   UNL     1       6.049  -2.523   2.033  1.00  0.00           H  
HETATM   44  H   UNL     1       8.216   0.243   0.137  1.00  0.00           H  
HETATM   45  H   UNL     1       6.646   2.735  -1.111  1.00  0.00           H  
HETATM   46  H   UNL     1       7.182   1.454  -2.225  1.00  0.00           H  
HETATM   47  H   UNL     1       5.629   2.280  -2.500  1.00  0.00           H  
CONECT    1    2    2    3   29                                       
CONECT    2    1    1    4   30                                       
CONECT    3    1    5    5   31                                       
CONECT    4    2    6    6   32                                       
CONECT    5    3    3    6                                            
CONECT    6    4    4    5    7                                       
CONECT    7    6    8   33                                            
CONECT    8    7   10   15   15                                       
CONECT    8   16   16                                                 
CONECT    9   10   10   11   34                                       
CONECT   10    8    9    9   12                                       
CONECT   11    9   13   13   35                                       
CONECT   12   10   14   14   36                                       
CONECT   13   11   11   14   17                                       
CONECT   14   12   12   13   37                                       
CONECT   15    8    8                                                 
CONECT   16    8    8                                                 
CONECT   17   13   18   18                                            
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   22   38                                       
CONECT   21   19   23   23   25                                       
CONECT   22   20   24   24   28                                       
CONECT   23   21   21   24   26                                       
CONECT   24   22   22   23   27                                       
CONECT   25   21   39   40                                            
CONECT   26   23   41   42   43                                       
CONECT   27   24   44                                                 
CONECT   28   22   45   46   47                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   20                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
