COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.753   3.037  -0.518  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.451   2.018   0.277  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.924   2.407   0.424  1.00  0.00           C  
HETATM    4  S   UNL     1      -5.045   4.013   1.258  1.00  0.00           S  
HETATM    5  C   UNL     1      -3.350   0.684  -0.417  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.093   0.634  -1.601  1.00  0.00           O  
HETATM    7  N   UNL     1      -3.546  -0.453   0.279  1.00  0.00           N  
HETATM    8  S   UNL     1      -3.435  -1.919  -0.483  1.00  0.00           S  
HETATM    9  O   UNL     1      -3.636  -2.897   0.529  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.205  -1.796  -1.671  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.993  -2.087  -0.940  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.224  -2.392   0.225  1.00  0.00           C  
HETATM   13  C   UNL     1       0.244  -2.574  -0.167  1.00  0.00           C  
HETATM   14  O   UNL     1       0.788  -1.322  -0.618  1.00  0.00           O  
HETATM   15  C   UNL     1       1.063  -3.018   1.060  1.00  0.00           C  
HETATM   16  O   UNL     1       1.676  -4.288   0.828  1.00  0.00           O  
HETATM   17  C   UNL     1       2.142  -1.914   1.212  1.00  0.00           C  
HETATM   18  O   UNL     1       3.410  -2.484   1.546  1.00  0.00           O  
HETATM   19  C   UNL     1       2.172  -1.292  -0.207  1.00  0.00           C  
HETATM   20  N   UNL     1       2.667   0.086  -0.160  1.00  0.00           N  
HETATM   21  C   UNL     1       1.910   1.210  -0.007  1.00  0.00           C  
HETATM   22  N   UNL     1       2.674   2.264  -0.008  1.00  0.00           N  
HETATM   23  C   UNL     1       3.965   1.884  -0.161  1.00  0.00           C  
HETATM   24  C   UNL     1       5.193   2.564  -0.234  1.00  0.00           C  
HETATM   25  N   UNL     1       5.244   3.944  -0.142  1.00  0.00           N  
HETATM   26  N   UNL     1       6.303   1.851  -0.393  1.00  0.00           N  
HETATM   27  C   UNL     1       6.264   0.535  -0.481  1.00  0.00           C  
HETATM   28  N   UNL     1       5.137  -0.144  -0.418  1.00  0.00           N  
HETATM   29  C   UNL     1       3.977   0.482  -0.255  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.208   3.065  -1.418  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.933   3.925  -0.074  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.993   1.951   1.263  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.382   2.475  -0.563  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.442   1.651   1.014  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.381   4.162   1.285  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.752  -0.413   1.226  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.310  -1.575   0.941  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.596  -3.312   0.675  1.00  0.00           H  
HETATM   39  H   UNL     1       0.327  -3.320  -0.958  1.00  0.00           H  
HETATM   40  H   UNL     1       0.430  -3.057   1.947  1.00  0.00           H  
HETATM   41  H   UNL     1       2.220  -4.482   1.604  1.00  0.00           H  
HETATM   42  H   UNL     1       1.843  -1.175   1.954  1.00  0.00           H  
HETATM   43  H   UNL     1       3.325  -2.852   2.436  1.00  0.00           H  
HETATM   44  H   UNL     1       2.785  -1.895  -0.878  1.00  0.00           H  
HETATM   45  H   UNL     1       0.836   1.223   0.100  1.00  0.00           H  
HETATM   46  H   UNL     1       4.427   4.453  -0.025  1.00  0.00           H  
HETATM   47  H   UNL     1       6.098   4.402  -0.193  1.00  0.00           H  
HETATM   48  H   UNL     1       7.190  -0.006  -0.610  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3    5   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3   35                                                 
CONECT    5    2    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   36                                            
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   37   38                                       
CONECT   13   12   14   15   39                                       
CONECT   14   13   19                                                 
CONECT   15   13   16   17   40                                       
CONECT   16   15   41                                                 
CONECT   17   15   18   19   42                                       
CONECT   18   17   43                                                 
CONECT   19   14   17   20   44                                       
CONECT   20   19   21   29                                            
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   46   47                                            
CONECT   26   24   27   27                                            
CONECT   27   26   26   28   48                                       
CONECT   28   27   29   29                                            
CONECT   29   20   23   28   28                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
