COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.110   1.895  -0.274  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.104   0.768   0.120  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.733   0.633   0.227  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.762   1.990   0.253  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.406   1.086   0.165  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.392   0.089   0.178  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.996  -1.275   0.142  1.00  0.00           C  
HETATM    8  C   UNL     1       2.665   0.690   0.034  1.00  0.00           C  
HETATM    9  C   UNL     1       6.264   0.339   1.117  1.00  0.00           C  
HETATM   10  C   UNL     1       6.194   0.406  -1.277  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.458  -3.696   0.241  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.070   2.756   0.309  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.120   2.477  -1.161  1.00  0.00           C  
HETATM   14  C   UNL     1       4.166   0.561  -0.014  1.00  0.00           C  
HETATM   15  C   UNL     1       4.889   0.463   1.161  1.00  0.00           C  
HETATM   16  C   UNL     1       6.918   0.313  -0.102  1.00  0.00           C  
HETATM   17  C   UNL     1       4.817   0.524  -1.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.648  -4.619   0.235  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.729  -5.579  -0.653  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.139   0.535   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.008  -0.142   0.249  1.00  0.00           C  
HETATM   22  C   UNL     1       0.212  -0.522   0.087  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.684  -1.498   0.098  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.916  -2.307   0.154  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.148   2.666   0.216  1.00  0.00           S  
HETATM   26  S   UNL     1       1.918  -0.959   0.027  1.00  0.00           S  
HETATM   27 CL   UNL     1       8.647   0.164  -0.157  1.00  0.00          Cl  
HETATM   28  H   UNL     1       2.374   1.217   0.943  1.00  0.00           H  
HETATM   29  H   UNL     1       2.320   1.248  -0.836  1.00  0.00           H  
HETATM   30  H   UNL     1       6.829   0.266   2.035  1.00  0.00           H  
HETATM   31  H   UNL     1       6.704   0.386  -2.229  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.894  -3.835   1.163  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.819  -3.922  -0.613  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.985   3.677  -0.269  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.320   2.989   1.344  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.800   1.695  -1.499  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.682   3.239  -0.620  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.630   2.930  -2.022  1.00  0.00           H  
HETATM   39  H   UNL     1       4.378   0.483   2.112  1.00  0.00           H  
HETATM   40  H   UNL     1       4.251   0.587  -2.150  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.436  -4.490   0.963  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.942  -5.709  -1.381  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.583  -6.241  -0.657  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.086   0.015   0.020  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.019  -1.202   0.453  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.865  -2.112   0.104  1.00  0.00           H  
CONECT    1   13   12   20                                            
CONECT    2    5   22   22                                            
CONECT    3    4    4   21    6                                       
CONECT    4   12   25    3    3                                       
CONECT    5   25    6    6    2                                       
CONECT    6    3    5    5    7                                       
CONECT    7    6   24   23   23                                       
CONECT    8   26   14   28   29                                       
CONECT    9   15   15   16   30                                       
CONECT   10   17   16   16   31                                       
CONECT   11   24   18   32   33                                       
CONECT   12    1    4   34   35                                       
CONECT   13    1   36   37   38                                       
CONECT   14    8   17   17   15                                       
CONECT   15   14    9    9   39                                       
CONECT   16   10   10    9   27                                       
CONECT   17   14   14   10   40                                       
CONECT   18   11   19   19   41                                       
CONECT   19   18   18   42   43                                       
CONECT   20    1   21   21   44                                       
CONECT   21   20   20    3   45                                       
CONECT   22    2    2   23   26                                       
CONECT   23    7    7   22                                            
CONECT   24    7   11   46                                            
CONECT   25    4    5                                                 
CONECT   26   22    8                                                 
CONECT   27   16                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
