COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.965   3.203  -0.234  1.00  0.00           C  
HETATM    2  C   UNL     1       5.364   1.197   1.449  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.553   2.128  -0.874  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.842   3.012   0.548  1.00  0.00           C  
HETATM    5  C   UNL     1       5.215   2.455   0.891  1.00  0.00           C  
HETATM    6  C   UNL     1       4.450   0.202   1.168  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.017   0.862  -0.732  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.306   1.746   0.690  1.00  0.00           C  
HETATM    9  C   UNL     1       4.148   2.725   0.054  1.00  0.00           C  
HETATM   10  C   UNL     1       1.055  -0.461   0.116  1.00  0.00           C  
HETATM   11  C   UNL     1       3.370   0.468   0.325  1.00  0.00           C  
HETATM   12  C   UNL     1       0.351  -1.614  -0.236  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.893   0.671   0.050  1.00  0.00           C  
HETATM   14  C   UNL     1       3.223   1.740  -0.230  1.00  0.00           C  
HETATM   15  C   UNL     1       2.387  -0.594   0.020  1.00  0.00           C  
HETATM   16  C   UNL     1       1.145  -2.656  -0.610  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.119  -1.697  -0.206  1.00  0.00           C  
HETATM   18  C   UNL     1       0.640  -4.010  -1.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.758  -1.306   1.540  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.309  -0.710   0.205  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.846  -0.628   0.175  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.094  -2.600   1.747  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.677  -2.730  -0.524  1.00  0.00           O  
HETATM   24  S   UNL     1       2.791  -2.216  -0.522  1.00  0.00           S  
HETATM   25 CL   UNL     1       1.884   2.082  -1.281  1.00  0.00          Cl  
HETATM   26  H   UNL     1      -5.382   4.193  -0.348  1.00  0.00           H  
HETATM   27  H   UNL     1       6.199   0.992   2.102  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.431   2.277  -1.485  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.383   3.852   1.048  1.00  0.00           H  
HETATM   30  H   UNL     1       5.936   3.228   1.111  1.00  0.00           H  
HETATM   31  H   UNL     1       4.569  -0.780   1.601  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.476   0.022  -1.232  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.427   1.597   1.301  1.00  0.00           H  
HETATM   34  H   UNL     1       4.038   3.709  -0.378  1.00  0.00           H  
HETATM   35  H   UNL     1       0.573   0.452   0.431  1.00  0.00           H  
HETATM   36  H   UNL     1       0.480  -4.016  -2.115  1.00  0.00           H  
HETATM   37  H   UNL     1       1.375  -4.771  -0.774  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.301  -4.224  -0.529  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.490  -0.627   2.350  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.839  -1.450   1.529  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.654  -1.344  -0.611  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.401   0.196   0.428  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.091  -2.504   1.697  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.375  -3.015   2.623  1.00  0.00           H  
CONECT    1    3    3    4   26                                       
CONECT    2    6    6    5   27                                       
CONECT    3    1    1    7   28                                       
CONECT    4    1    8    8   29                                       
CONECT    5    9    9    2   30                                       
CONECT    6   11    2    2   31                                       
CONECT    7    3   13   13   32                                       
CONECT    8    4    4   13   33                                       
CONECT    9   14    5    5   34                                       
CONECT   10   12   15   15   35                                       
CONECT   11   15   14   14    6                                       
CONECT   12   17   16   16   10                                       
CONECT   13    7    7    8   20                                       
CONECT   14   25   11   11    9                                       
CONECT   15   10   10   24   11                                       
CONECT   16   18   12   12   24                                       
CONECT   17   21   23   23   12                                       
CONECT   18   16   36   37   38                                       
CONECT   19   20   22   39   40                                       
CONECT   20   13   19   21   41                                       
CONECT   21   20   17   42                                            
CONECT   22   19   43   44                                            
CONECT   23   17   17                                                 
CONECT   24   16   15                                                 
CONECT   25   14                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
