COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.634   1.346   0.203  1.00  0.00           C  
HETATM    2  C   UNL     1       3.976   1.034   0.362  1.00  0.00           C  
HETATM    3  C   UNL     1       2.201   2.775   0.408  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.951  -1.025   0.623  1.00  0.00           N  
HETATM    5  C   UNL     1       0.816   2.994  -0.203  1.00  0.00           C  
HETATM    6  C   UNL     1       0.267   0.650  -0.321  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.270  -1.512   0.869  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.561  -0.458   0.332  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.027  -0.176   0.130  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.303  -0.764   0.437  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.575   0.026  -0.089  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.499  -1.113   0.602  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.045   0.698  -1.818  1.00  0.00           C  
HETATM   14  C   UNL     1       2.938  -3.518  -0.644  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.083   1.938   0.287  1.00  0.00           N  
HETATM   16  C   UNL     1       4.418  -0.266   0.192  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.376   0.815  -0.476  1.00  0.00           O  
HETATM   18  C   UNL     1       3.507  -1.265  -0.138  1.00  0.00           C  
HETATM   19  C   UNL     1       6.610   0.512   0.687  1.00  0.00           C  
HETATM   20  C   UNL     1       2.170  -0.949  -0.296  1.00  0.00           C  
HETATM   21  C   UNL     1       1.732   0.357  -0.128  1.00  0.00           C  
HETATM   22  O   UNL     1       3.930  -2.547  -0.306  1.00  0.00           O  
HETATM   23  O   UNL     1       5.735  -0.566   0.348  1.00  0.00           O  
HETATM   24  S   UNL     1      -4.935   0.590  -0.395  1.00  0.00           S  
HETATM   25  H   UNL     1       4.681   1.811   0.618  1.00  0.00           H  
HETATM   26  H   UNL     1       2.163   2.992   1.476  1.00  0.00           H  
HETATM   27  H   UNL     1       2.917   3.442  -0.070  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.672  -1.817   1.108  1.00  0.00           H  
HETATM   29  H   UNL     1       0.434   3.970   0.098  1.00  0.00           H  
HETATM   30  H   UNL     1       0.884   2.943  -1.289  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.309  -1.416  -0.124  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.341  -0.495   1.399  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.484   0.516  -0.405  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.373  -1.665   0.916  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.106   0.901  -1.962  1.00  0.00           H  
HETATM   36  H   UNL     1       0.543   1.487  -2.287  1.00  0.00           H  
HETATM   37  H   UNL     1       0.207  -0.261  -2.272  1.00  0.00           H  
HETATM   38  H   UNL     1       3.409  -4.496  -0.748  1.00  0.00           H  
HETATM   39  H   UNL     1       2.186  -3.559   0.143  1.00  0.00           H  
HETATM   40  H   UNL     1       2.465  -3.241  -1.586  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.059   1.880   1.294  1.00  0.00           H  
HETATM   42  H   UNL     1       6.573   1.270  -0.095  1.00  0.00           H  
HETATM   43  H   UNL     1       6.296   0.951   1.634  1.00  0.00           H  
HETATM   44  H   UNL     1       7.629   0.136   0.781  1.00  0.00           H  
HETATM   45  H   UNL     1       1.462  -1.723  -0.554  1.00  0.00           H  
CONECT    1    2    3   21   21                                       
CONECT    2   16   16    1   25                                       
CONECT    3    1    5   26   27                                       
CONECT    4   10    9   28                                            
CONECT    5    3   15   29   30                                       
CONECT    6   21   15    8   13                                       
CONECT    7   12   10   10                                            
CONECT    8    6    9   31   32                                       
CONECT    9    4    8   17   17                                       
CONECT   10    7    7    4   24                                       
CONECT   11   12   12   24   33                                       
CONECT   12    7   11   11   34                                       
CONECT   13    6   35   36   37                                       
CONECT   14   22   38   39   40                                       
CONECT   15    5    6   41                                            
CONECT   16   23    2    2   18                                       
CONECT   17    9    9                                                 
CONECT   18   16   22   20   20                                       
CONECT   19   23   42   43   44                                       
CONECT   20   18   18   21   45                                       
CONECT   21    1    1   20    6                                       
CONECT   22   18   14                                                 
CONECT   23   19   16                                                 
CONECT   24   11   10                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
