COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.144  -0.251  -1.229  1.00  0.00           C  
HETATM    2  C   UNL     1       6.471  -0.625  -1.147  1.00  0.00           C  
HETATM    3  C   UNL     1       7.195  -0.362   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       6.593   0.276   1.070  1.00  0.00           C  
HETATM    5  C   UNL     1       5.266   0.652   0.993  1.00  0.00           C  
HETATM    6  C   UNL     1       4.537   0.389  -0.158  1.00  0.00           C  
HETATM    7  O   UNL     1       3.232   0.758  -0.237  1.00  0.00           O  
HETATM    8  C   UNL     1       2.261  -0.193   0.203  1.00  0.00           C  
HETATM    9  C   UNL     1       4.357  -0.533  -2.483  1.00  0.00           C  
HETATM   10  C   UNL     1       4.610   1.348   2.158  1.00  0.00           C  
HETATM   11  C   UNL     1       0.858   0.397   0.040  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.372  -0.809   0.597  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.850   0.106   0.306  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.114  -0.343   0.564  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.990   0.666   0.200  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.195   1.720  -0.280  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.900   1.320  -0.184  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.370   0.797   0.226  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.958   1.963  -0.220  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.178   3.006  -0.695  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.806   2.894  -0.727  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.476  -1.649   1.121  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.675  -2.636   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.530  -2.284  -1.147  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.014  -3.905   0.275  1.00  0.00           O  
HETATM   26  H   UNL     1       6.944  -1.124  -1.980  1.00  0.00           H  
HETATM   27  H   UNL     1       8.232  -0.656   0.064  1.00  0.00           H  
HETATM   28  H   UNL     1       7.160   0.480   1.966  1.00  0.00           H  
HETATM   29  H   UNL     1       2.345  -1.101  -0.395  1.00  0.00           H  
HETATM   30  H   UNL     1       2.435  -0.432   1.252  1.00  0.00           H  
HETATM   31  H   UNL     1       4.452   0.309  -3.169  1.00  0.00           H  
HETATM   32  H   UNL     1       4.743  -1.434  -2.960  1.00  0.00           H  
HETATM   33  H   UNL     1       3.307  -0.678  -2.229  1.00  0.00           H  
HETATM   34  H   UNL     1       4.732   2.426   2.053  1.00  0.00           H  
HETATM   35  H   UNL     1       3.548   1.102   2.176  1.00  0.00           H  
HETATM   36  H   UNL     1       5.075   1.018   3.087  1.00  0.00           H  
HETATM   37  H   UNL     1       0.774   1.304   0.638  1.00  0.00           H  
HETATM   38  H   UNL     1       0.684   0.635  -1.009  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.983  -0.013   0.593  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.033   2.064  -0.199  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.650   3.914  -1.041  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.204   3.711  -1.097  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.678  -1.999   1.775  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.400  -1.557   1.692  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.131  -4.501  -0.477  1.00  0.00           H  
CONECT    1    9    2    2    6                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   11   29   30                                       
CONECT    9    1   31   32   33                                       
CONECT   10    5   34   35   36                                       
CONECT   11    8   12   37   38                                       
CONECT   12   11   13                                                 
CONECT   13   14   12   17   17                                       
CONECT   14   22   15   13                                            
CONECT   15   14   18   18   16                                       
CONECT   16   15   17   21   21                                       
CONECT   17   13   13   16                                            
CONECT   18   15   15   19   39                                       
CONECT   19   18   20   20   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   16   16   20   42                                       
CONECT   22   14   23   43   44                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   45                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
