COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.485  -1.051  -0.349  1.00  0.00           S  
HETATM    2 CL   UNL     1      -5.472   1.959  -0.891  1.00  0.00          Cl  
HETATM    3  C   UNL     1       8.012   0.208   0.059  1.00  0.00           C  
HETATM    4  N   UNL     1       5.802   1.285   0.408  1.00  0.00           N  
HETATM    5  C   UNL     1       6.506   0.254   0.074  1.00  0.00           C  
HETATM    6  N   UNL     1       0.079  -1.235  -0.411  1.00  0.00           N  
HETATM    7  C   UNL     1       4.496   1.162   0.368  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.603   0.893   0.277  1.00  0.00           N  
HETATM    9  C   UNL     1       3.557   2.283   0.730  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.925  -0.757   0.232  1.00  0.00           N  
HETATM   11  C   UNL     1       4.066  -0.058  -0.027  1.00  0.00           C  
HETATM   12  N   UNL     1       1.666   0.367   0.108  1.00  0.00           N  
HETATM   13  C   UNL     1       2.658  -0.481  -0.166  1.00  0.00           C  
HETATM   14  C   UNL     1       2.344  -1.779  -0.586  1.00  0.00           C  
HETATM   15  C   UNL     1       1.012  -2.129  -0.700  1.00  0.00           C  
HETATM   16  C   UNL     1       0.404  -0.012  -0.015  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.941   0.478   0.266  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.286  -0.771   0.763  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.605  -1.180   0.752  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.587  -0.342   0.243  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.089  -1.980  -0.565  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.429  -0.946   1.598  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.243   0.910  -0.255  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.925   1.320  -0.238  1.00  0.00           C  
HETATM   25  H   UNL     1       8.375  -0.120   1.033  1.00  0.00           H  
HETATM   26  H   UNL     1       8.347  -0.491  -0.708  1.00  0.00           H  
HETATM   27  H   UNL     1       8.404   1.201  -0.159  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.382   1.813   0.490  1.00  0.00           H  
HETATM   29  H   UNL     1       3.331   2.870  -0.160  1.00  0.00           H  
HETATM   30  H   UNL     1       2.634   1.868   1.135  1.00  0.00           H  
HETATM   31  H   UNL     1       4.026   2.923   1.478  1.00  0.00           H  
HETATM   32  H   UNL     1       3.124  -2.490  -0.816  1.00  0.00           H  
HETATM   33  H   UNL     1       0.734  -3.122  -1.022  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.521  -1.424   1.158  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.872  -2.153   1.138  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.480  -2.776  -0.138  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.137  -2.280  -0.557  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.773  -1.791  -1.591  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.359  -0.006   2.145  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.470  -1.268   1.560  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.832  -1.705   2.104  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.657   2.294  -0.621  1.00  0.00           H  
CONECT    1    5   11                                                 
CONECT    2   23                                                      
CONECT    3    5   25   26   27                                       
CONECT    4    5    5    7                                            
CONECT    5    1    3    4    4                                       
CONECT    6   15   15   16                                            
CONECT    7    4    9   11   11                                       
CONECT    8   16   17   28                                            
CONECT    9    7   29   30   31                                       
CONECT   10   21   22   20                                            
CONECT   11    1    7    7   13                                       
CONECT   12   13   16   16                                            
CONECT   13   11   12   14   14                                       
CONECT   14   13   13   15   32                                       
CONECT   15    6    6   14   33                                       
CONECT   16    6    8   12   12                                       
CONECT   17    8   18   18   24                                       
CONECT   18   17   17   19   34                                       
CONECT   19   18   20   20   35                                       
CONECT   20   10   19   19   23                                       
CONECT   21   10   36   37   38                                       
CONECT   22   10   39   40   41                                       
CONECT   23    2   20   24   24                                       
CONECT   24   17   23   23   42                                       
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
