COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.404   0.635   0.054  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.788  -3.065   0.138  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.419   0.523  -0.524  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.139  -3.160   0.418  1.00  0.00           C  
HETATM    5  N   UNL     1       3.426   0.312  -0.317  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.931  -2.027   0.389  1.00  0.00           C  
HETATM    7  N   UNL     1       2.255   0.384  -1.176  1.00  0.00           N  
HETATM    8  N   UNL     1       6.217   0.220   0.241  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.374  -0.793   0.080  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.016  -0.694  -0.205  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.227  -1.840  -0.172  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.257   1.967   0.151  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.708   3.226   0.524  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.823   4.285   0.608  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.485   4.090   0.321  1.00  0.00           C  
HETATM   16 CL   UNL     1      -0.794  -4.488   0.175  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.029   2.840  -0.052  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.912   1.768  -0.141  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.187   0.491  -1.317  1.00  0.00           C  
HETATM   20  C   UNL     1       1.021   0.416  -0.381  1.00  0.00           C  
HETATM   21  C   UNL     1       4.206  -0.903  -0.589  1.00  0.00           C  
HETATM   22  C   UNL     1       5.382  -0.981   0.387  1.00  0.00           C  
HETATM   23  C   UNL     1       5.437   1.436   0.513  1.00  0.00           C  
HETATM   24  C   UNL     1       4.261   1.513  -0.463  1.00  0.00           C  
HETATM   25  C   UNL     1       7.400   0.148   1.109  1.00  0.00           C  
HETATM   26  H   UNL     1       4.638   1.572  -1.484  1.00  0.00           H  
HETATM   27  H   UNL     1       3.665   2.399  -0.244  1.00  0.00           H  
HETATM   28  H   UNL     1       5.060   1.405   1.535  1.00  0.00           H  
HETATM   29  H   UNL     1       6.074   2.312   0.387  1.00  0.00           H  
HETATM   30  H   UNL     1       7.994  -0.726   0.840  1.00  0.00           H  
HETATM   31  H   UNL     1       8.000   1.049   0.981  1.00  0.00           H  
HETATM   32  H   UNL     1       7.083   0.066   2.148  1.00  0.00           H  
HETATM   33  H   UNL     1       5.978  -1.867   0.168  1.00  0.00           H  
HETATM   34  H   UNL     1       5.005  -1.039   1.408  1.00  0.00           H  
HETATM   35  H   UNL     1       3.570  -1.779  -0.462  1.00  0.00           H  
HETATM   36  H   UNL     1       4.582  -0.872  -1.612  1.00  0.00           H  
HETATM   37  H   UNL     1       2.308   1.180  -1.794  1.00  0.00           H  
HETATM   38  H   UNL     1       0.955  -0.488   0.225  1.00  0.00           H  
HETATM   39  H   UNL     1       1.030   1.290   0.270  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.197  -0.383  -1.968  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.121   1.395  -1.923  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.172  -1.771  -0.390  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.575  -4.118   0.658  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.985  -2.102   0.609  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.753   3.379   0.749  1.00  0.00           H  
HETATM   46  H   UNL     1       0.017   2.694  -0.275  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.794   4.917   0.388  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.176   5.264   0.898  1.00  0.00           H  
CONECT    1    9   12                                                 
CONECT    2   11   11   16    4                                       
CONECT    3   19   10   18                                            
CONECT    4    2    6    6   43                                       
CONECT    5   24   21    7                                            
CONECT    6    4    4    9   44                                       
CONECT    7    5   20   37                                            
CONECT    8   23   25   22                                            
CONECT    9   10   10    6    1                                       
CONECT   10    3   11    9    9                                       
CONECT   11   10    2    2   42                                       
CONECT   12    1   18   18   13                                       
CONECT   13   12   14   14   45                                       
CONECT   14   15   13   13   48                                       
CONECT   15   17   17   14   47                                       
CONECT   16    2                                                      
CONECT   17   18   15   15   46                                       
CONECT   18    3   12   12   17                                       
CONECT   19   20    3   40   41                                       
CONECT   20    7   19   38   39                                       
CONECT   21   22    5   35   36                                       
CONECT   22    8   21   33   34                                       
CONECT   23   24    8   28   29                                       
CONECT   24   23    5   26   27                                       
CONECT   25    8   30   31   32                                       
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   23                                                      
CONECT   29   23                                                      
CONECT   30   25                                                      
CONECT   31   25                                                      
CONECT   32   25                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37    7                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   11                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45   13                                                      
CONECT   46   17                                                      
CONECT   47   15                                                      
CONECT   48   14                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
