COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.945   2.653  -1.649  1.00  0.00           C  
HETATM    2  N   UNL     1       0.236   1.117   0.031  1.00  0.00           N  
HETATM    3  C   UNL     1       1.484   1.619  -0.558  1.00  0.00           C  
HETATM    4  C   UNL     1       3.130   2.389   1.229  1.00  0.00           C  
HETATM    5  C   UNL     1       4.028  -1.964  -0.307  1.00  0.00           C  
HETATM    6  C   UNL     1       3.561  -3.108  -0.920  1.00  0.00           C  
HETATM    7  C   UNL     1       2.240  -3.146  -1.117  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.774  -1.723   1.946  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.620  -0.342   0.392  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.456  -0.626   1.092  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.254  -0.084   0.679  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.211   0.742  -0.429  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.370   1.026  -1.128  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.574   0.486  -0.720  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.899   1.332  -0.877  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.608   1.352  -2.379  1.00  0.00           C  
HETATM   17  C   UNL     1       2.612   1.436   0.425  1.00  0.00           C  
HETATM   18  C   UNL     1       3.315   0.237   0.669  1.00  0.00           C  
HETATM   19  C   UNL     1       3.076  -1.062   0.004  1.00  0.00           C  
HETATM   20  N   UNL     1       4.120   1.830   1.957  1.00  0.00           N  
HETATM   21  N   UNL     1       4.222   0.481   1.592  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.802  -0.879   0.792  1.00  0.00           O  
HETATM   23  S   UNL     1       1.506  -1.669  -0.507  1.00  0.00           S  
HETATM   24  H   UNL     1      -1.924   3.094  -1.833  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.134   3.361  -1.483  1.00  0.00           H  
HETATM   26  H   UNL     1       0.064   1.541   0.931  1.00  0.00           H  
HETATM   27  H   UNL     1       1.704   1.065  -1.470  1.00  0.00           H  
HETATM   28  H   UNL     1       1.375   2.678  -0.792  1.00  0.00           H  
HETATM   29  H   UNL     1       2.810   3.420   1.278  1.00  0.00           H  
HETATM   30  H   UNL     1       5.074  -1.805  -0.089  1.00  0.00           H  
HETATM   31  H   UNL     1       4.215  -3.914  -1.220  1.00  0.00           H  
HETATM   32  H   UNL     1       1.704  -3.960  -1.582  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.115  -2.571   1.759  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.405  -1.157   2.801  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.781  -2.084   2.156  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.489  -1.270   1.958  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.347  -0.304   1.223  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.333   1.671  -1.993  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.479   0.708  -1.266  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.365   0.937  -3.044  1.00  0.00           H  
HETATM   41  H   UNL     1       0.426   1.204  -2.694  1.00  0.00           H  
HETATM   42  H   UNL     1       4.669   2.284   2.615  1.00  0.00           H  
CONECT    1   16   15   24   25                                       
CONECT    2   15    3   26                                            
CONECT    3    2   17   27   28                                       
CONECT    4   17   17   20   29                                       
CONECT    5   19   19    6   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7   23    6    6   32                                       
CONECT    8   22   33   34   35                                       
CONECT    9   22   10   10   14                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   37                                       
CONECT   12   11   11   13   15                                       
CONECT   13   14   14   12   38                                       
CONECT   14    9   13   13   39                                       
CONECT   15   12   16    2    1                                       
CONECT   16   15    1   40   41                                       
CONECT   17    3    4    4   18                                       
CONECT   18   17   19   21   21                                       
CONECT   19   23   18    5    5                                       
CONECT   20    4   21   42                                            
CONECT   21   18   18   20                                            
CONECT   22    8    9                                                 
CONECT   23    7   19                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
