COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -3.743  -3.978  -0.780  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -2.297  -3.105  -0.380  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.334  -1.723  -0.251  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.502  -1.053  -0.436  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.488   0.300  -0.311  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.237   1.095  -1.416  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.224   2.484  -1.284  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.965   3.312  -2.423  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.759   3.969  -3.327  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.733   0.885   0.925  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.721   2.262   1.059  1.00  0.00           C  
HETATM   12 CL   UNL     1      -4.027   2.984   2.607  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -3.465   3.064  -0.037  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.110  -3.787  -0.186  1.00  0.00           C  
HETATM   15  C   UNL     1       0.043  -3.094   0.132  1.00  0.00           C  
HETATM   16  C   UNL     1       0.012  -1.712   0.258  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.178  -1.027   0.068  1.00  0.00           C  
HETATM   18  O   UNL     1       1.146  -1.032   0.571  1.00  0.00           O  
HETATM   19  C   UNL     1       2.335  -1.804   0.757  1.00  0.00           C  
HETATM   20  C   UNL     1       3.481  -0.886   1.096  1.00  0.00           C  
HETATM   21  N   UNL     1       3.843  -0.516   2.291  1.00  0.00           N  
HETATM   22  N   UNL     1       4.948   0.337   2.216  1.00  0.00           N  
HETATM   23  C   UNL     1       5.295   0.509   0.904  1.00  0.00           C  
HETATM   24  N   UNL     1       6.249   1.205   0.294  1.00  0.00           N  
HETATM   25  C   UNL     1       6.370   1.201  -1.021  1.00  0.00           C  
HETATM   26  N   UNL     1       7.384   1.943  -1.612  1.00  0.00           N  
HETATM   27  C   UNL     1       5.501   0.465  -1.829  1.00  0.00           C  
HETATM   28  C   UNL     1       4.502  -0.269  -1.253  1.00  0.00           C  
HETATM   29  C   UNL     1       4.390  -0.258   0.144  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.050   0.641  -2.378  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.933   0.262   1.785  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.457   4.138   0.071  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.084  -4.862  -0.282  1.00  0.00           H  
HETATM   34  H   UNL     1       0.969  -3.629   0.284  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.204   0.048   0.169  1.00  0.00           H  
HETATM   36  H   UNL     1       2.184  -2.513   1.571  1.00  0.00           H  
HETATM   37  H   UNL     1       2.563  -2.347  -0.160  1.00  0.00           H  
HETATM   38  H   UNL     1       5.397   0.743   2.974  1.00  0.00           H  
HETATM   39  H   UNL     1       7.993   2.458  -1.060  1.00  0.00           H  
HETATM   40  H   UNL     1       7.482   1.947  -2.577  1.00  0.00           H  
HETATM   41  H   UNL     1       5.618   0.475  -2.903  1.00  0.00           H  
HETATM   42  H   UNL     1       3.818  -0.845  -1.859  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   14                                       
CONECT    3    2    2    4   17                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8   13   13                                       
CONECT    8    7    9    9    9                                       
CONECT    9    8    8    8                                            
CONECT   10    5   11   11   31                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11                                                      
CONECT   13    7    7   11   32                                       
CONECT   14    2   15   15   33                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   18                                       
CONECT   17    3   16   16   35                                       
CONECT   18   16   19                                                 
CONECT   19   18   20   36   37                                       
CONECT   20   19   21   21   29                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   38                                            
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   39   40                                            
CONECT   27   25   25   28   41                                       
CONECT   28   27   29   29   42                                       
CONECT   29   20   23   28   28                                       
CONECT   30    6                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
CONECT   42   28                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
