COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       1.268  -2.165   0.689  1.00  0.00           O  
HETATM    2  C   UNL     1       1.916  -1.149   0.525  1.00  0.00           C  
HETATM    3  C   UNL     1       3.335  -1.239   0.151  1.00  0.00           C  
HETATM    4  C   UNL     1       4.065  -0.043  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1       3.979  -2.455  -0.026  1.00  0.00           C  
HETATM    6  C   UNL     1       5.323  -2.488  -0.379  1.00  0.00           C  
HETATM    7  C   UNL     1       6.043  -1.343  -0.562  1.00  0.00           C  
HETATM    8  C   UNL     1       5.428  -0.090  -0.393  1.00  0.00           C  
HETATM    9  C   UNL     1       6.127   1.117  -0.568  1.00  0.00           C  
HETATM   10  C   UNL     1       5.486   2.310  -0.392  1.00  0.00           C  
HETATM   11  C   UNL     1       4.143   2.369  -0.038  1.00  0.00           C  
HETATM   12  C   UNL     1       3.418   1.201   0.144  1.00  0.00           C  
HETATM   13  C   UNL     1       1.996   1.210   0.519  1.00  0.00           C  
HETATM   14  O   UNL     1       1.418   2.269   0.673  1.00  0.00           O  
HETATM   15  N   UNL     1       1.328   0.052   0.682  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.088   0.101   1.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.948   0.133  -0.210  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.368   0.183   0.164  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.225   0.215  -1.028  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.671   0.265  -0.605  1.00  0.00           C  
HETATM   21  S   UNL     1      -5.676  -1.092  -0.321  1.00  0.00           S  
HETATM   22  N   UNL     1      -5.358   1.340  -0.392  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.562   1.179  -0.042  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.973  -0.043   0.065  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.361  -0.472   0.468  1.00  0.00           C  
HETATM   26  H   UNL     1       3.435  -3.378   0.112  1.00  0.00           H  
HETATM   27  H   UNL     1       5.809  -3.443  -0.512  1.00  0.00           H  
HETATM   28  H   UNL     1       7.086  -1.399  -0.836  1.00  0.00           H  
HETATM   29  H   UNL     1       7.171   1.101  -0.843  1.00  0.00           H  
HETATM   30  H   UNL     1       6.036   3.229  -0.530  1.00  0.00           H  
HETATM   31  H   UNL     1       3.663   3.328   0.095  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.340  -0.781   1.643  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.277   0.998   1.646  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.696   1.016  -0.798  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.758  -0.763  -0.800  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.556   0.970   0.766  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.989   1.098  -1.622  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.052  -0.681  -1.624  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.407  -0.582   1.551  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.081   0.281   0.148  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.598  -1.425  -0.005  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   15    1    1    3                                       
CONECT    3    2    4    4    5                                       
CONECT    4   12    3    3    8                                       
CONECT    5    3    6    6   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    8    8    6   28                                       
CONECT    8    4    9    7    7                                       
CONECT    9   10   10    8   29                                       
CONECT   10   11    9    9   30                                       
CONECT   11   12   12   10   31                                       
CONECT   12   13   11   11    4                                       
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13    2                                            
CONECT   16   17   15   32   33                                       
CONECT   17   18   16   34   35                                       
CONECT   18   19   17   36                                            
CONECT   19   20   18   37   38                                       
CONECT   20   21   19   22   22                                       
CONECT   21   24   20                                                 
CONECT   22   20   20   23                                            
CONECT   23   24   24   22                                            
CONECT   24   25   21   23   23                                       
CONECT   25   24   39   40   41                                       
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
