COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.465  -2.790   1.491  1.00  0.00           C  
HETATM    2  C   UNL     1       0.513  -3.835   1.835  1.00  0.00           C  
HETATM    3  C   UNL     1       3.061  -0.929  -1.264  1.00  0.00           C  
HETATM    4  C   UNL     1       3.269   1.286  -0.362  1.00  0.00           C  
HETATM    5  C   UNL     1       4.109   2.367   0.210  1.00  0.00           C  
HETATM    6  C   UNL     1       5.479   2.174   0.378  1.00  0.00           C  
HETATM    7  C   UNL     1       6.255   3.183   0.910  1.00  0.00           C  
HETATM    8  C   UNL     1       4.317   4.584   1.108  1.00  0.00           C  
HETATM    9  N   UNL     1       0.170  -2.942  -0.842  1.00  0.00           N  
HETATM   10  C   UNL     1       3.531   3.581   0.576  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.444  -1.385  -2.656  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.355   1.655  -1.104  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.126   2.220  -0.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.980   1.800   1.209  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.066   0.816   1.524  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.287   0.244   0.518  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.442   0.666  -0.801  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.303  -0.813   0.851  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.155  -1.237   2.174  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.252  -2.209   2.491  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.607  -2.370   0.157  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.528  -1.381  -0.156  1.00  0.00           C  
HETATM   23  C   UNL     1       1.702  -0.732  -1.428  1.00  0.00           C  
HETATM   24  C   UNL     1       3.847   0.074  -0.734  1.00  0.00           C  
HETATM   25  C   UNL     1       1.899   1.479  -0.530  1.00  0.00           C  
HETATM   26  C   UNL     1       1.123   0.469  -1.062  1.00  0.00           C  
HETATM   27  C   UNL     1       5.675   4.385   1.278  1.00  0.00           C  
HETATM   28 CL   UNL     1      -6.279   3.458  -0.491  1.00  0.00          Cl  
HETATM   29  O   UNL     1       0.648  -4.236   3.114  1.00  0.00           O  
HETATM   30  O   UNL     1       1.199  -4.335   0.965  1.00  0.00           O  
HETATM   31  O   UNL     1       1.576  -2.842  -2.867  1.00  0.00           O  
HETATM   32  S   UNL     1       0.705  -2.017  -2.107  1.00  0.00           S  
HETATM   33  H   UNL     1       3.508  -1.870  -1.548  1.00  0.00           H  
HETATM   34  H   UNL     1       5.932   1.237   0.092  1.00  0.00           H  
HETATM   35  H   UNL     1       7.317   3.035   1.041  1.00  0.00           H  
HETATM   36  H   UNL     1       3.870   5.523   1.397  1.00  0.00           H  
HETATM   37  H   UNL     1       0.399  -3.883  -0.799  1.00  0.00           H  
HETATM   38  H   UNL     1       2.471   3.738   0.444  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.472   1.986  -2.126  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.584   2.244   1.987  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.953   0.490   2.547  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.841   0.227  -1.584  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.760  -0.792   2.951  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.144  -2.531   3.516  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.643  -1.052  -1.178  1.00  0.00           H  
HETATM   46  H   UNL     1       4.909  -0.081  -0.606  1.00  0.00           H  
HETATM   47  H   UNL     1       1.446   2.416  -0.244  1.00  0.00           H  
HETATM   48  H   UNL     1       0.061   0.618  -1.193  1.00  0.00           H  
HETATM   49  H   UNL     1       6.287   5.172   1.694  1.00  0.00           H  
HETATM   50  H   UNL     1       1.303  -4.925   3.292  1.00  0.00           H  
CONECT    1    2   21   21   20                                       
CONECT    2   30   30   29    1                                       
CONECT    3   23   23   24   33                                       
CONECT    4   24   24   25    5                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   34                                       
CONECT    7   27   27    6   35                                       
CONECT    8   10   10   27   36                                       
CONECT    9   32   21   37                                            
CONECT   10    8    8    5   38                                       
CONECT   11   32   32                                                 
CONECT   12   17   17   13   39                                       
CONECT   13   14   14   12   28                                       
CONECT   14   15   13   13   40                                       
CONECT   15   16   16   14   41                                       
CONECT   16   18   15   15   17                                       
CONECT   17   16   12   12   42                                       
CONECT   18   22   22   19   16                                       
CONECT   19   20   20   18   43                                       
CONECT   20    1   19   19   44                                       
CONECT   21    9    1    1   22                                       
CONECT   22   21   18   18   45                                       
CONECT   23   32    3    3   26                                       
CONECT   24    3    4    4   46                                       
CONECT   25   26   26    4   47                                       
CONECT   26   23   25   25   48                                       
CONECT   27    8    7    7   49                                       
CONECT   28   13                                                      
CONECT   29    2   50                                                 
CONECT   30    2    2                                                 
CONECT   31   32   32                                                 
CONECT   32   11   11    9   31                                       
CONECT   32   31   23                                                 
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
