COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.769   1.417  -0.093  1.00  0.00           C  
HETATM    2  C   UNL     1       4.098   0.731   0.147  1.00  0.00           C  
HETATM    3  C   UNL     1       4.432   2.083   0.298  1.00  0.00           C  
HETATM    4 CL   UNL     1      -5.884  -1.321   0.196  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -4.269  -0.782   0.538  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.746   0.316  -0.149  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.528   1.002  -1.133  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.148   1.546  -1.914  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.433   0.736   0.145  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.719   0.030   1.113  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.315  -1.042   1.742  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.550  -1.409   1.447  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.868   1.819  -0.509  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.515   2.124  -0.319  1.00  0.00           C  
HETATM   15  C   UNL     1       0.422   1.106  -0.283  1.00  0.00           C  
HETATM   16  C   UNL     1       2.794   0.363  -0.048  1.00  0.00           C  
HETATM   17  N   UNL     1       2.449  -0.964  -0.199  1.00  0.00           N  
HETATM   18  C   UNL     1       3.484  -2.000  -0.152  1.00  0.00           C  
HETATM   19  C   UNL     1       2.849  -3.353  -0.341  1.00  0.00           C  
HETATM   20  O   UNL     1       1.651  -3.444  -0.499  1.00  0.00           O  
HETATM   21  O   UNL     1       5.600   2.390   0.470  1.00  0.00           O  
HETATM   22  N   UNL     1       3.502   3.053   0.259  1.00  0.00           N  
HETATM   23  C   UNL     1       2.166   2.756   0.066  1.00  0.00           C  
HETATM   24  C   UNL     1       1.210   3.766   0.027  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.116   3.451  -0.166  1.00  0.00           C  
HETATM   26  H   UNL     1       4.871  -0.022   0.183  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.710   0.320   1.367  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.764  -1.590   2.491  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.409   2.367  -1.099  1.00  0.00           H  
HETATM   30  H   UNL     1       0.112   0.078  -0.401  1.00  0.00           H  
HETATM   31  H   UNL     1       4.210  -1.824  -0.946  1.00  0.00           H  
HETATM   32  H   UNL     1       3.988  -1.966   0.815  1.00  0.00           H  
HETATM   33  H   UNL     1       3.774   3.978   0.368  1.00  0.00           H  
HETATM   34  H   UNL     1       1.508   4.797   0.148  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.855   4.238  -0.196  1.00  0.00           H  
HETATM   36  H   UNL     1       1.521  -1.212  -0.336  1.00  0.00           H  
HETATM   37  N   UNL     1       3.614  -4.463  -0.333  1.00  0.00           N  
HETATM   38  C   UNL     1       2.997  -5.779  -0.517  1.00  0.00           C  
HETATM   39  H   UNL     1       4.573  -4.390  -0.207  1.00  0.00           H  
HETATM   40  H   UNL     1       2.272  -5.954   0.277  1.00  0.00           H  
HETATM   41  H   UNL     1       2.494  -5.812  -1.484  1.00  0.00           H  
HETATM   42  H   UNL     1       3.768  -6.549  -0.482  1.00  0.00           H  
CONECT    1   15   16   23   23                                       
CONECT    2   16   16    3   26                                       
CONECT    3    2   22   21   21                                       
CONECT    4    5                                                      
CONECT    5    4   12   12    6                                       
CONECT    6    5    7    9    9                                       
CONECT    7    6    8    8    8                                       
CONECT    8    7    7    7                                            
CONECT    9    6    6   10   13                                       
CONECT   10   11   11    9   27                                       
CONECT   11   12   10   10   28                                       
CONECT   12    5    5   11                                            
CONECT   13    9   14   29                                            
CONECT   14   13   15   15   25                                       
CONECT   15   14   14    1   30                                       
CONECT   16   17    1    2    2                                       
CONECT   17   18   16   36                                            
CONECT   18   17   19   31   32                                       
CONECT   19   20   20   18   37                                       
CONECT   20   19   19                                                 
CONECT   21    3    3                                                 
CONECT   22   23    3   33                                            
CONECT   23    1    1   24   22                                       
CONECT   24   25   25   23   34                                       
CONECT   25   14   24   24   35                                       
CONECT   26    2                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   22                                                      
CONECT   34   24                                                      
CONECT   35   25                                                      
CONECT   36   17                                                      
CONECT   37   19   38   39                                            
CONECT   38   37   40   41   42                                       
CONECT   39   37                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   38                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
