COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.592   0.894   0.054  1.00  0.00           C  
HETATM    2  C   UNL     1       1.819   1.598   0.024  1.00  0.00           C  
HETATM    3  C   UNL     1       3.023   0.850  -0.013  1.00  0.00           C  
HETATM    4  N   UNL     1       2.951  -0.489  -0.019  1.00  0.00           N  
HETATM    5  N   UNL     1       0.626  -0.431   0.045  1.00  0.00           N  
HETATM    6  C   UNL     1       0.525  -3.250   0.040  1.00  0.00           C  
HETATM    7  C   UNL     1       0.500  -4.630   0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       1.683  -5.346  -0.010  1.00  0.00           C  
HETATM    9  C   UNL     1       2.897  -4.684  -0.045  1.00  0.00           C  
HETATM   10  C   UNL     1       2.934  -3.305  -0.037  1.00  0.00           C  
HETATM   11  C   UNL     1       1.745  -2.578   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.779  -1.096   0.009  1.00  0.00           C  
HETATM   13  C   UNL     1       4.250   1.523  -0.043  1.00  0.00           C  
HETATM   14  C   UNL     1       4.267   2.903  -0.035  1.00  0.00           C  
HETATM   15  N   UNL     1       5.486   3.578  -0.065  1.00  0.00           N  
HETATM   16  C   UNL     1       3.073   3.632   0.002  1.00  0.00           C  
HETATM   17  C   UNL     1       1.869   2.997   0.031  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.610   1.569   0.096  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.869   0.822   0.132  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.043   1.802   0.175  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.339   1.033   0.212  1.00  0.00           C  
HETATM   22  S   UNL     1      -5.252   0.518  -1.199  1.00  0.00           S  
HETATM   23  C   UNL     1      -6.473  -0.226  -0.175  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.145  -0.056   1.107  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.965   0.635   1.321  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.399  -2.692   0.073  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.446  -5.152   0.059  1.00  0.00           H  
HETATM   28  H   UNL     1       1.658  -6.426  -0.016  1.00  0.00           H  
HETATM   29  H   UNL     1       3.817  -5.248  -0.077  1.00  0.00           H  
HETATM   30  H   UNL     1       3.883  -2.789  -0.063  1.00  0.00           H  
HETATM   31  H   UNL     1       5.176   0.967  -0.071  1.00  0.00           H  
HETATM   32  H   UNL     1       6.316   3.078  -0.092  1.00  0.00           H  
HETATM   33  H   UNL     1       5.503   4.548  -0.060  1.00  0.00           H  
HETATM   34  H   UNL     1       3.107   4.712   0.007  1.00  0.00           H  
HETATM   35  H   UNL     1       0.954   3.572   0.059  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.621   2.539   0.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.948   0.200  -0.760  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.891   0.189   1.019  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.964   2.424   1.067  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.021   2.435  -0.712  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.353  -0.742  -0.529  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.753  -0.432   1.917  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.581   0.837   2.309  1.00  0.00           H  
CONECT    1   18    2    2    5                                       
CONECT    2   17    1    1    3                                       
CONECT    3    2   13    4    4                                       
CONECT    4    3    3   12                                            
CONECT    5    1   12   12                                            
CONECT    6   11    7    7   26                                       
CONECT    7    6    6    8   27                                       
CONECT    8    9    9    7   28                                       
CONECT    9   10    8    8   29                                       
CONECT   10   11   11    9   30                                       
CONECT   11   12   10   10    6                                       
CONECT   12    5    5    4   11                                       
CONECT   13   14   14    3   31                                       
CONECT   14   16   15   13   13                                       
CONECT   15   14   32   33                                            
CONECT   16   17   17   14   34                                       
CONECT   17   16   16    2   35                                       
CONECT   18   19    1   36                                            
CONECT   19   20   18   37   38                                       
CONECT   20   19   21   39   40                                       
CONECT   21   20   25   25   22                                       
CONECT   22   21   23                                                 
CONECT   23   24   24   22   41                                       
CONECT   24   25   23   23   42                                       
CONECT   25   21   21   24   43                                       
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
