COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.031  -2.569  -0.169  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.859  -4.328  -0.999  1.00  0.00           N  
HETATM    3  C   UNL     1       2.780  -0.159   1.237  1.00  0.00           C  
HETATM    4  C   UNL     1       3.645   0.935  -0.710  1.00  0.00           C  
HETATM    5  C   UNL     1       4.935   0.658  -0.293  1.00  0.00           C  
HETATM    6  C   UNL     1       4.070  -0.441   1.652  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.312   2.865   1.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.151   3.493   0.113  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.076   2.432  -0.488  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.236   1.290  -1.063  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.396   0.662   0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.472   1.723   0.653  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.590  -0.434  -0.500  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.248  -1.413   0.541  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.423  -2.520  -0.062  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.865  -3.637  -0.594  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.756  -3.712  -0.756  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.047  -1.524   0.289  1.00  0.00           C  
HETATM   19  N   UNL     1       0.192  -0.570  -0.797  1.00  0.00           N  
HETATM   20  S   UNL     1       0.926   0.880  -0.478  1.00  0.00           S  
HETATM   21  O   UNL     1       1.044   1.553  -1.724  1.00  0.00           O  
HETATM   22  O   UNL     1       0.252   1.434   0.643  1.00  0.00           O  
HETATM   23  C   UNL     1       2.569   0.527   0.054  1.00  0.00           C  
HETATM   24  C   UNL     1       5.146  -0.033   0.888  1.00  0.00           C  
HETATM   25 CL   UNL     1       1.428  -0.672   2.197  1.00  0.00          Cl  
HETATM   26 CL   UNL     1       6.287   1.170  -1.253  1.00  0.00          Cl  
HETATM   27  H   UNL     1      -1.923  -5.195  -1.429  1.00  0.00           H  
HETATM   28  H   UNL     1       3.480   1.470  -1.634  1.00  0.00           H  
HETATM   29  H   UNL     1       4.235  -0.979   2.573  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.653   3.621   1.656  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.971   2.476   2.004  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.749   4.306   0.523  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.491   3.882  -0.663  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.735   2.043   0.288  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.673   2.879  -1.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.894   0.534  -1.491  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.576   1.679  -1.839  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.056   0.274   0.828  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.812   2.112  -0.123  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.874   1.276   1.447  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.064  -0.878  -1.272  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.677  -0.921   1.328  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.163  -1.829   0.962  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.453  -0.997   1.153  1.00  0.00           H  
HETATM   45  H   UNL     1       0.891  -2.004   0.565  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.079  -0.788  -1.702  1.00  0.00           H  
HETATM   47  H   UNL     1       6.153  -0.253   1.212  1.00  0.00           H  
CONECT    1   15   17   17   18                                       
CONECT    2   16   17   27                                            
CONECT    3    6   25   23   23                                       
CONECT    4    5    5   23   28                                       
CONECT    5   24   26    4    4                                       
CONECT    6   24   24    3   29                                       
CONECT    7   12    8   30   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10   34   35                                       
CONECT   10   11    9   36   37                                       
CONECT   11   12   13   10   38                                       
CONECT   12    7   11   39   40                                       
CONECT   13   11   14   41                                            
CONECT   14   13   15   42   43                                       
CONECT   15   14   16   16    1                                       
CONECT   16   15   15    2                                            
CONECT   17    2    1    1                                            
CONECT   18    1   19   44   45                                       
CONECT   19   20   18   46                                            
CONECT   20   23   21   21   22                                       
CONECT   20   22   19                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    3    3    4   20                                       
CONECT   24    6    6    5   47                                       
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
