COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.231  -2.699   1.907  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.895  -1.973   0.784  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.778  -1.771  -0.183  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.600  -1.419   0.639  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.313  -0.683  -0.537  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.275  -0.540  -1.461  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.468  -1.073  -1.272  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.432  -0.904  -2.248  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.612  -1.582   1.618  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.380  -1.031   1.434  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.087  -0.302   0.277  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.040  -0.125  -0.706  1.00  0.00           C  
HETATM   13  N   UNL     1       1.186   0.253   0.113  1.00  0.00           N  
HETATM   14  C   UNL     1       2.374  -0.441  -0.020  1.00  0.00           C  
HETATM   15  C   UNL     1       2.703  -1.789  -0.040  1.00  0.00           C  
HETATM   16  C   UNL     1       4.018  -2.173  -0.194  1.00  0.00           C  
HETATM   17  C   UNL     1       4.373  -3.637  -0.215  1.00  0.00           C  
HETATM   18  C   UNL     1       5.018  -1.220  -0.331  1.00  0.00           C  
HETATM   19  C   UNL     1       6.450  -1.658  -0.499  1.00  0.00           C  
HETATM   20  C   UNL     1       4.712   0.122  -0.314  1.00  0.00           C  
HETATM   21  C   UNL     1       3.383   0.529  -0.158  1.00  0.00           C  
HETATM   22  N   UNL     1       2.784   1.743  -0.104  1.00  0.00           N  
HETATM   23  C   UNL     1       1.490   1.591   0.049  1.00  0.00           C  
HETATM   24  C   UNL     1       0.513   2.688   0.149  1.00  0.00           C  
HETATM   25  N   UNL     1       0.796   3.960   0.098  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.205   4.799   0.204  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.417   4.246   0.353  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.227   2.494   0.347  1.00  0.00           S  
HETATM   29  H   UNL     1      -5.123  -3.069   1.996  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.574  -2.842   2.606  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.226  -0.402  -3.052  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.315  -1.288  -2.129  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.826  -2.142   2.516  1.00  0.00           H  
HETATM   34  H   UNL     1       0.380  -1.158   2.191  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.806   0.439  -1.596  1.00  0.00           H  
HETATM   36  H   UNL     1       1.930  -2.536   0.066  1.00  0.00           H  
HETATM   37  H   UNL     1       4.334  -4.006  -1.240  1.00  0.00           H  
HETATM   38  H   UNL     1       5.379  -3.773   0.182  1.00  0.00           H  
HETATM   39  H   UNL     1       3.662  -4.192   0.397  1.00  0.00           H  
HETATM   40  H   UNL     1       6.671  -1.779  -1.560  1.00  0.00           H  
HETATM   41  H   UNL     1       7.113  -0.905  -0.074  1.00  0.00           H  
HETATM   42  H   UNL     1       6.602  -2.608   0.014  1.00  0.00           H  
HETATM   43  H   UNL     1       5.496   0.857  -0.421  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.062   5.869   0.173  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.349   4.782   0.454  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    4    4    3    1                                       
CONECT    3    7    7    2                                            
CONECT    4    5    9    2    2                                       
CONECT    5   12    6    6    4                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    3    3                                       
CONECT    8    7   31   32                                            
CONECT    9   10   10    4   33                                       
CONECT   10   11    9    9   34                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11    5   35                                       
CONECT   13   23   14   11                                            
CONECT   14   21   13   15   15                                       
CONECT   15   14   14   16   36                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16   37   38   39                                       
CONECT   18   20   19   16   16                                       
CONECT   19   18   40   41   42                                       
CONECT   20   21   21   18   43                                       
CONECT   21   22   20   20   14                                       
CONECT   22   23   23   21                                            
CONECT   23   24   22   22   13                                       
CONECT   24   28   25   25   23                                       
CONECT   25   26   24   24                                            
CONECT   26   27   27   25   44                                       
CONECT   27   28   26   26   45                                       
CONECT   28   27   24                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
