COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.428   0.339  -3.128  1.00  0.00           S  
HETATM    2  N   UNL     1       0.433   0.459  -0.699  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.306   0.136   0.903  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.655  -0.063   1.226  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.607  -0.139   0.202  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.015  -1.108  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.871   0.186  -1.433  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.917   0.255  -0.417  1.00  0.00           C  
HETATM    9  C   UNL     1       0.292  -0.013  -3.079  1.00  0.00           C  
HETATM   10  C   UNL     1       0.931  -0.396  -4.255  1.00  0.00           C  
HETATM   11  C   UNL     1       2.282  -0.684  -4.256  1.00  0.00           C  
HETATM   12  C   UNL     1       3.009  -0.594  -3.083  1.00  0.00           C  
HETATM   13  C   UNL     1       2.384  -0.215  -1.911  1.00  0.00           C  
HETATM   14  C   UNL     1       1.025   0.078  -1.902  1.00  0.00           C  
HETATM   15  C   UNL     1       1.271   1.097   0.319  1.00  0.00           C  
HETATM   16  C   UNL     1       1.868   0.026   1.233  1.00  0.00           C  
HETATM   17  C   UNL     1       2.742   0.693   2.297  1.00  0.00           C  
HETATM   18  N   UNL     1       3.315  -0.335   3.175  1.00  0.00           N  
HETATM   19  C   UNL     1       4.139   0.367   4.168  1.00  0.00           C  
HETATM   20  C   UNL     1       2.194  -0.937   3.908  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.066  -0.193   2.628  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.518  -0.408   2.970  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.238  -0.127   3.512  1.00  0.00           O  
HETATM   24  H   UNL     1      -0.567   0.194   1.689  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.649  -0.294   0.442  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.952  -0.074  -1.894  1.00  0.00           H  
HETATM   27  H   UNL     1       0.367  -0.468  -5.174  1.00  0.00           H  
HETATM   28  H   UNL     1       2.771  -0.978  -5.173  1.00  0.00           H  
HETATM   29  H   UNL     1       4.065  -0.821  -3.084  1.00  0.00           H  
HETATM   30  H   UNL     1       2.954  -0.147  -0.996  1.00  0.00           H  
HETATM   31  H   UNL     1       0.664   1.783   0.910  1.00  0.00           H  
HETATM   32  H   UNL     1       2.075   1.650  -0.166  1.00  0.00           H  
HETATM   33  H   UNL     1       2.474  -0.659   0.642  1.00  0.00           H  
HETATM   34  H   UNL     1       1.063  -0.526   1.719  1.00  0.00           H  
HETATM   35  H   UNL     1       2.136   1.379   2.888  1.00  0.00           H  
HETATM   36  H   UNL     1       3.547   1.245   1.812  1.00  0.00           H  
HETATM   37  H   UNL     1       4.589  -0.357   4.846  1.00  0.00           H  
HETATM   38  H   UNL     1       4.926   0.924   3.658  1.00  0.00           H  
HETATM   39  H   UNL     1       3.515   1.057   4.735  1.00  0.00           H  
HETATM   40  H   UNL     1       1.550  -1.473   3.211  1.00  0.00           H  
HETATM   41  H   UNL     1       2.578  -1.632   4.655  1.00  0.00           H  
HETATM   42  H   UNL     1       1.620  -0.153   4.403  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.630  -0.480   4.052  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.107   0.430   2.599  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.868  -1.330   2.506  1.00  0.00           H  
CONECT    1    7    9                                                 
CONECT    2    8   14   15                                            
CONECT    3    4    4    8   24                                       
CONECT    4    3    3    5   21                                       
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    1    6    8    8                                       
CONECT    8    2    3    7    7                                       
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   27                                       
CONECT   11   10   12   12   28                                       
CONECT   12   11   11   13   29                                       
CONECT   13   12   14   14   30                                       
CONECT   14    2    9   13   13                                       
CONECT   15    2   16   31   32                                       
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   35   36                                       
CONECT   18   17   19   20                                            
CONECT   19   18   37   38   39                                       
CONECT   20   18   40   41   42                                       
CONECT   21    4   22   23   23                                       
CONECT   22   21   43   44   45                                       
CONECT   23   21   21                                                 
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
