COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.739  -1.944  -1.902  1.00  0.00           C  
HETATM    2  C   UNL     1       4.345  -1.197  -0.654  1.00  0.00           C  
HETATM    3  C   UNL     1       4.975  -1.473   0.545  1.00  0.00           C  
HETATM    4  C   UNL     1       4.614  -0.788   1.689  1.00  0.00           C  
HETATM    5  C   UNL     1       3.622   0.174   1.635  1.00  0.00           C  
HETATM    6  C   UNL     1       2.991   0.450   0.437  1.00  0.00           C  
HETATM    7  C   UNL     1       1.910   1.497   0.378  1.00  0.00           C  
HETATM    8  C   UNL     1       0.560   0.830   0.438  1.00  0.00           C  
HETATM    9  C   UNL     1       0.440  -0.488   0.828  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.818  -1.079   0.881  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.912  -2.246   1.229  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.951  -0.389   0.554  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.832   0.907   0.170  1.00  0.00           C  
HETATM   14  S   UNL     1      -3.428   1.579  -0.199  1.00  0.00           S  
HETATM   15  C   UNL     1      -4.368   0.068   0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.303  -0.943   0.585  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.365  -2.127  -0.346  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.483  -2.866  -0.418  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.408  -2.410  -1.027  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.595   1.528   0.106  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.509   2.866  -0.288  1.00  0.00           N1+
HETATM   22  C   UNL     1       0.343   3.601   0.656  1.00  0.00           C  
HETATM   23  C   UNL     1       0.072   2.944  -1.635  1.00  0.00           C  
HETATM   24  C   UNL     1       3.356  -0.232  -0.710  1.00  0.00           C  
HETATM   25  C   UNL     1       2.673   0.073  -2.018  1.00  0.00           C  
HETATM   26  H   UNL     1       5.543  -1.409  -2.407  1.00  0.00           H  
HETATM   27  H   UNL     1       5.079  -2.944  -1.635  1.00  0.00           H  
HETATM   28  H   UNL     1       3.879  -2.019  -2.568  1.00  0.00           H  
HETATM   29  H   UNL     1       5.751  -2.224   0.587  1.00  0.00           H  
HETATM   30  H   UNL     1       5.106  -1.003   2.626  1.00  0.00           H  
HETATM   31  H   UNL     1       3.339   0.709   2.530  1.00  0.00           H  
HETATM   32  H   UNL     1       2.016   2.178   1.223  1.00  0.00           H  
HETATM   33  H   UNL     1       1.997   2.058  -0.553  1.00  0.00           H  
HETATM   34  H   UNL     1       1.319  -1.058   1.092  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.069   0.243   0.982  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.896  -0.277  -0.723  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.521  -1.284   1.597  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.474  -3.616  -1.030  1.00  0.00           H  
HETATM   39  H   UNL     1       1.388   3.487   0.368  1.00  0.00           H  
HETATM   40  H   UNL     1       0.076   4.658   0.641  1.00  0.00           H  
HETATM   41  H   UNL     1       0.198   3.204   1.661  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.630   2.530  -2.358  1.00  0.00           H  
HETATM   43  H   UNL     1       0.279   3.985  -1.882  1.00  0.00           H  
HETATM   44  H   UNL     1       1.001   2.373  -1.663  1.00  0.00           H  
HETATM   45  H   UNL     1       1.755  -0.510  -2.092  1.00  0.00           H  
HETATM   46  H   UNL     1       2.434   1.135  -2.063  1.00  0.00           H  
HETATM   47  H   UNL     1       3.336  -0.186  -2.843  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.432   3.274  -0.296  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1   24   24    3                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    6    6    4   31                                       
CONECT    6   24    7    5    5                                       
CONECT    7    8    6   32   33                                       
CONECT    8    9    9   20    7                                       
CONECT    9   10    8    8   34                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   16   10   13                                            
CONECT   13   12   14   20   20                                       
CONECT   14   15   13                                                 
CONECT   15   16   14   35   36                                       
CONECT   16   17   15   12   37                                       
CONECT   17   19   19   18   16                                       
CONECT   18   17   38                                                 
CONECT   19   17   17                                                 
CONECT   20   13   13    8   21                                       
CONECT   21   20   23   22   48                                       
CONECT   22   21   39   40   41                                       
CONECT   23   21   42   43   44                                       
CONECT   24   25    2    2    6                                       
CONECT   25   24   45   46   47                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
