COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.605  -1.531  -3.125  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.473  -1.220  -1.932  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.153  -1.415  -0.640  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.192  -1.011   0.106  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.137  -0.575  -0.692  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.711  -0.689  -1.962  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.448  -0.041  -0.266  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.371   0.393  -1.219  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.593   0.890  -0.816  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.905   0.958   0.531  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.994   0.529   1.482  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.771   0.025   1.090  1.00  0.00           C  
HETATM   13 CL   UNL     1      -9.445   1.584   1.031  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -0.858  -1.987  -0.123  1.00  0.00           C  
HETATM   15  O   UNL     1       0.076  -0.928   0.097  1.00  0.00           O  
HETATM   16  C   UNL     1       1.303  -1.275   0.567  1.00  0.00           C  
HETATM   17  C   UNL     1       1.604  -2.608   0.805  1.00  0.00           C  
HETATM   18  C   UNL     1       2.852  -2.959   1.282  1.00  0.00           C  
HETATM   19  C   UNL     1       3.801  -1.982   1.522  1.00  0.00           C  
HETATM   20  C   UNL     1       3.503  -0.652   1.287  1.00  0.00           C  
HETATM   21  C   UNL     1       2.258  -0.298   0.804  1.00  0.00           C  
HETATM   22  C   UNL     1       4.540   0.410   1.550  1.00  0.00           C  
HETATM   23  N   UNL     1       5.335   0.627   0.339  1.00  0.00           N  
HETATM   24  C   UNL     1       4.914   1.628  -0.644  1.00  0.00           C  
HETATM   25  C   UNL     1       5.533   2.959  -0.302  1.00  0.00           C  
HETATM   26  O   UNL     1       6.252   3.061   0.664  1.00  0.00           O  
HETATM   27  O   UNL     1       5.286   4.031  -1.071  1.00  0.00           O  
HETATM   28  C   UNL     1       6.454  -0.094   0.130  1.00  0.00           C  
HETATM   29  O   UNL     1       6.803  -0.925   0.945  1.00  0.00           O  
HETATM   30  O   UNL     1       7.185   0.105  -0.983  1.00  0.00           O  
HETATM   31  C   UNL     1       8.378  -0.707  -1.143  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.795  -2.551  -3.456  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.836  -0.837  -3.933  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.556  -1.428  -2.847  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.129   0.340  -2.271  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.308   1.226  -1.553  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.242   0.585   2.531  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.061  -0.309   1.832  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.041  -2.511   0.814  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.450  -2.684  -0.856  1.00  0.00           H  
HETATM   41  H   UNL     1       0.864  -3.372   0.618  1.00  0.00           H  
HETATM   42  H   UNL     1       3.087  -3.996   1.468  1.00  0.00           H  
HETATM   43  H   UNL     1       4.777  -2.258   1.895  1.00  0.00           H  
HETATM   44  H   UNL     1       2.027   0.741   0.616  1.00  0.00           H  
HETATM   45  H   UNL     1       4.044   1.339   1.831  1.00  0.00           H  
HETATM   46  H   UNL     1       5.193   0.087   2.361  1.00  0.00           H  
HETATM   47  H   UNL     1       5.239   1.321  -1.638  1.00  0.00           H  
HETATM   48  H   UNL     1       3.828   1.718  -0.628  1.00  0.00           H  
HETATM   49  H   UNL     1       5.705   4.863  -0.812  1.00  0.00           H  
HETATM   50  H   UNL     1       8.873  -0.446  -2.078  1.00  0.00           H  
HETATM   51  H   UNL     1       9.057  -0.524  -0.310  1.00  0.00           H  
HETATM   52  H   UNL     1       8.100  -1.761  -1.160  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    6    3    3                                       
CONECT    3    2    2    4   14                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    7    6                                       
CONECT    6    2    5                                                 
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   13   11                                       
CONECT   11   10   12   12   37                                       
CONECT   12    7   11   11   38                                       
CONECT   13   10                                                      
CONECT   14    3   15   39   40                                       
CONECT   15   14   16                                                 
CONECT   16   15   21   21   17                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   22                                       
CONECT   21   16   16   20   44                                       
CONECT   22   20   23   45   46                                       
CONECT   23   22   24   28                                            
CONECT   24   23   25   47   48                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   49                                                 
CONECT   28   23   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   50   51   52                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
