COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.503  -3.116   0.167  1.00  0.00           C  
HETATM    2  C   UNL     1       1.832  -0.273  -1.808  1.00  0.00           C  
HETATM    3  C   UNL     1       4.066  -0.018  -0.983  1.00  0.00           C  
HETATM    4  C   UNL     1       2.290   1.366  -0.123  1.00  0.00           C  
HETATM    5  C   UNL     1       5.940   1.299   0.766  1.00  0.00           C  
HETATM    6  C   UNL     1       6.833   1.933   1.606  1.00  0.00           C  
HETATM    7  C   UNL     1       6.398   2.936   2.452  1.00  0.00           C  
HETATM    8  C   UNL     1       4.164   2.683   1.627  1.00  0.00           C  
HETATM    9  N   UNL     1       0.076  -2.376  -2.062  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.076  -3.903   2.461  1.00  0.00           C  
HETATM   11  O   UNL     1       0.290  -4.206   0.010  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.904   2.361  -0.218  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.604   2.549   0.964  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.497   1.626   1.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.693   0.514   1.842  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.988   0.321   0.656  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.097   1.251  -0.375  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.122  -0.874   0.492  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.016  -1.799   1.522  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.201  -2.923   1.366  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.621  -2.184  -0.863  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.425  -1.070  -0.701  1.00  0.00           C  
HETATM   23  C   UNL     1       3.164  -0.646  -1.819  1.00  0.00           C  
HETATM   24  C   UNL     1       3.633   0.993  -0.129  1.00  0.00           C  
HETATM   25  C   UNL     1       1.397   0.731  -0.961  1.00  0.00           C  
HETATM   26  C   UNL     1       4.598   1.671   0.772  1.00  0.00           C  
HETATM   27  C   UNL     1       5.066   3.310   2.462  1.00  0.00           C  
HETATM   28 CL   UNL     1      -4.047   3.518  -1.505  1.00  0.00          Cl  
HETATM   29  F   UNL     1      -5.392   3.636   1.114  1.00  0.00           F  
HETATM   30  O   UNL     1      -0.393  -0.170  -3.062  1.00  0.00           O  
HETATM   31  O   UNL     1       1.449  -1.600  -3.960  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.748  -3.715   3.614  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.366  -4.879   2.324  1.00  0.00           O  
HETATM   34  S   UNL     1       0.688  -1.074  -2.882  1.00  0.00           S  
HETATM   35  H   UNL     1       5.106  -0.311  -0.992  1.00  0.00           H  
HETATM   36  H   UNL     1       1.949   2.149   0.538  1.00  0.00           H  
HETATM   37  H   UNL     1       6.282   0.518   0.102  1.00  0.00           H  
HETATM   38  H   UNL     1       7.874   1.645   1.602  1.00  0.00           H  
HETATM   39  H   UNL     1       7.100   3.430   3.108  1.00  0.00           H  
HETATM   40  H   UNL     1       3.125   2.976   1.635  1.00  0.00           H  
HETATM   41  H   UNL     1       0.200  -3.272  -2.413  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.165  -4.974  -0.361  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.044   1.776   2.910  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.611  -0.205   2.644  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.552   1.105  -1.296  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.562  -1.651   2.441  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.514  -0.350  -1.502  1.00  0.00           H  
HETATM   48  H   UNL     1       3.499  -1.430  -2.481  1.00  0.00           H  
HETATM   49  H   UNL     1       0.356   1.018  -0.957  1.00  0.00           H  
HETATM   50  H   UNL     1       4.731   4.094   3.125  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.634  -4.384   4.302  1.00  0.00           H  
CONECT    1   11   21   21   20                                       
CONECT    2   25   34   23   23                                       
CONECT    3   24   24   23   35                                       
CONECT    4   25   25   24   36                                       
CONECT    5   26   26    6   37                                       
CONECT    6    5    7    7   38                                       
CONECT    7    6    6   27   39                                       
CONECT    8   26   27   27   40                                       
CONECT    9   34   21   41                                            
CONECT   10   20   33   33   32                                       
CONECT   11    1   42                                                 
CONECT   12   17   28   13   13                                       
CONECT   13   12   12   14   29                                       
CONECT   14   15   15   13   43                                       
CONECT   15   16   14   14   44                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16   12   45                                       
CONECT   18   22   22   19   16                                       
CONECT   19   20   20   18   46                                       
CONECT   20    1   10   19   19                                       
CONECT   21    9    1    1   22                                       
CONECT   22   21   18   18   47                                       
CONECT   23    2    2    3   48                                       
CONECT   24    4   26    3    3                                       
CONECT   25    4    4    2   49                                       
CONECT   26   24    5    5    8                                       
CONECT   27    8    8    7   50                                       
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   34   34                                                 
CONECT   31   34   34                                                 
CONECT   32   10   51                                                 
CONECT   33   10   10                                                 
CONECT   34   30   30   31   31                                       
CONECT   34    2    9                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
