COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.233   0.005   0.701  1.00  0.00           C  
HETATM    2  C   UNL     1       3.968  -0.274   0.209  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.292   0.717   0.394  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.301   1.192  -0.818  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.782  -0.535   0.716  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.954  -1.476   1.553  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.242   1.391  -3.822  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.062   0.708  -2.464  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.043   1.309  -1.456  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.863   0.626  -0.099  1.00  0.00           C  
HETATM   11  N   UNL     1       0.469   0.931   0.428  1.00  0.00           N  
HETATM   12  C   UNL     1       1.528   0.185   0.057  1.00  0.00           C  
HETATM   13  O   UNL     1       1.378  -0.742  -0.715  1.00  0.00           O  
HETATM   14  C   UNL     1       2.873   0.493   0.589  1.00  0.00           C  
HETATM   15  C   UNL     1       3.050   1.557   1.477  1.00  0.00           C  
HETATM   16  C   UNL     1       4.310   1.835   1.967  1.00  0.00           C  
HETATM   17  C   UNL     1       5.395   1.070   1.588  1.00  0.00           C  
HETATM   18  N   UNL     1       6.163  -0.899   0.184  1.00  0.00           N  
HETATM   19  C   UNL     1       5.597  -1.791  -0.646  1.00  0.00           C  
HETATM   20  O   UNL     1       6.163  -2.688  -1.235  1.00  0.00           O  
HETATM   21  C   UNL     1       4.120  -1.464  -0.710  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.927   1.138   0.874  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.864   2.564   0.942  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.051   1.580  -0.372  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.792  -0.059  -0.497  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.032  -0.924   0.271  1.00  0.00           C  
HETATM   27 CL   UNL     1      -5.648  -2.496   0.674  1.00  0.00          Cl  
HETATM   28  H   UNL     1      -5.894   1.868  -1.417  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.178  -1.318   2.608  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.188  -2.506   1.282  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.895  -1.286   1.374  1.00  0.00           H  
HETATM   32  H   UNL     1       0.457   0.963  -4.540  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.263   1.238  -4.173  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.049   2.459  -3.719  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.255  -0.360  -2.567  1.00  0.00           H  
HETATM   36  H   UNL     1       0.959   0.861  -2.113  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.851   2.377  -1.354  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.064   1.156  -1.808  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.969  -0.452  -0.218  1.00  0.00           H  
HETATM   40  H   UNL     1       0.589   1.671   1.044  1.00  0.00           H  
HETATM   41  H   UNL     1       2.206   2.159   1.778  1.00  0.00           H  
HETATM   42  H   UNL     1       4.448   2.657   2.654  1.00  0.00           H  
HETATM   43  H   UNL     1       6.375   1.298   1.979  1.00  0.00           H  
HETATM   44  H   UNL     1       7.109  -0.883   0.398  1.00  0.00           H  
HETATM   45  H   UNL     1       3.532  -2.306  -0.346  1.00  0.00           H  
HETATM   46  H   UNL     1       3.826  -1.202  -1.727  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.745   0.719   1.864  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.017   3.004   0.094  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.668   2.558  -0.624  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.768  -0.362  -0.845  1.00  0.00           H  
CONECT    1   17   18    2    2                                       
CONECT    2    1    1   14   21                                       
CONECT    3   22   24   24    5                                       
CONECT    4   24   25   25   28                                       
CONECT    5    3    6   26   26                                       
CONECT    6    5   29   30   31                                       
CONECT    7    8   32   33   34                                       
CONECT    8    9    7   35   36                                       
CONECT    9   10    8   37   38                                       
CONECT   10   11   22    9   39                                       
CONECT   11   12   10   40                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   15    2   12                                       
CONECT   15   16   14   14   41                                       
CONECT   16   17   17   15   42                                       
CONECT   17   16   16    1   43                                       
CONECT   18    1   19   44                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19    2   45   46                                       
CONECT   22   23   10    3   47                                       
CONECT   23   22   48                                                 
CONECT   24    3    3    4   49                                       
CONECT   25    4    4   26   50                                       
CONECT   26    5    5   25   27                                       
CONECT   27   26                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
