COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.053   1.577  -0.917  1.00  0.00           C  
HETATM    2  C   UNL     1       3.433   1.502  -3.079  1.00  0.00           C  
HETATM    3  C   UNL     1       5.908   1.633   0.173  1.00  0.00           C  
HETATM    4  C   UNL     1       7.944   2.266   1.224  1.00  0.00           C  
HETATM    5  C   UNL     1       5.528   1.063   1.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.182  -3.665   0.767  1.00  0.00           C  
HETATM    7  C   UNL     1       0.098  -4.512  -0.591  1.00  0.00           C  
HETATM    8  C   UNL     1       1.076  -2.445  -0.032  1.00  0.00           C  
HETATM    9  C   UNL     1       2.105  -0.289   0.543  1.00  0.00           C  
HETATM   10  C   UNL     1       3.443   0.392   0.413  1.00  0.00           C  
HETATM   11  C   UNL     1       3.820   0.956  -0.798  1.00  0.00           C  
HETATM   12  C   UNL     1       4.300   0.440   1.495  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.148  -2.753   0.521  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.109  -4.043  -0.027  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.447  -4.604   0.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.880  -1.326   1.644  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.313  -0.333   0.596  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.101   1.827  -0.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.622   1.442  -1.239  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.929   2.414  -2.170  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.245   4.096  -0.746  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.912   3.187   0.237  1.00  0.00           C  
HETATM   23  N   UNL     1       1.172  -3.691  -0.578  1.00  0.00           N  
HETATM   24  N   UNL     1       2.182  -1.632  -0.036  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.040  -1.997   0.494  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.412  -2.552   0.992  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.783   0.875   0.965  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.735   3.692  -1.903  1.00  0.00           N  
HETATM   29  O   UNL     1       0.169  -5.628  -1.076  1.00  0.00           O  
HETATM   30  O   UNL     1       2.980   0.900  -1.865  1.00  0.00           O  
HETATM   31  O   UNL     1       7.115   2.246   0.060  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.238  -0.621  -0.580  1.00  0.00           O  
HETATM   33 CL   UNL     1      -3.268   3.729   1.756  1.00  0.00          Cl  
HETATM   34  H   UNL     1       5.346   2.021  -1.857  1.00  0.00           H  
HETATM   35  H   UNL     1       3.622   2.562  -2.911  1.00  0.00           H  
HETATM   36  H   UNL     1       4.353   1.016  -3.404  1.00  0.00           H  
HETATM   37  H   UNL     1       2.670   1.387  -3.848  1.00  0.00           H  
HETATM   38  H   UNL     1       7.426   2.786   2.030  1.00  0.00           H  
HETATM   39  H   UNL     1       8.162   1.244   1.533  1.00  0.00           H  
HETATM   40  H   UNL     1       8.876   2.784   0.998  1.00  0.00           H  
HETATM   41  H   UNL     1       6.194   1.106   2.230  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.221  -3.770   1.042  1.00  0.00           H  
HETATM   43  H   UNL     1       1.834  -0.361   1.596  1.00  0.00           H  
HETATM   44  H   UNL     1       1.349   0.292   0.013  1.00  0.00           H  
HETATM   45  H   UNL     1       4.005   0.000   2.437  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.780  -5.584  -0.160  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.072  -0.899   2.237  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.724  -1.559   2.293  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.782   0.398  -1.465  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.332   2.125  -3.129  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.102   5.152  -0.567  1.00  0.00           H  
HETATM   52  H   UNL     1       2.013  -3.989  -0.958  1.00  0.00           H  
HETATM   53  H   UNL     1       3.015  -1.947  -0.421  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.900   1.083   1.905  1.00  0.00           H  
CONECT    1   11   11    3   34                                       
CONECT    2   30   35   36   37                                       
CONECT    3    1   31    5    5                                       
CONECT    4   31   38   39   40                                       
CONECT    5    3    3   12   41                                       
CONECT    6   15   15   26   42                                       
CONECT    7   23   29   29   14                                       
CONECT    8   24   23   25   25                                       
CONECT    9   24   10   43   44                                       
CONECT   10   11    9   12   12                                       
CONECT   11   30    1    1   10                                       
CONECT   12   10   10    5   45                                       
CONECT   13   25   14   14   26                                       
CONECT   14    7   13   13   15                                       
CONECT   15   14    6    6   46                                       
CONECT   16   26   17   47   48                                       
CONECT   17   16   32   32   27                                       
CONECT   18   27   19   19   22                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   28   28   50                                       
CONECT   21   22   22   28   51                                       
CONECT   22   18   21   21   33                                       
CONECT   23    8    7   52                                            
CONECT   24    9    8   53                                            
CONECT   25    8    8   13                                            
CONECT   26   13    6   16                                            
CONECT   27   17   18   54                                            
CONECT   28   20   20   21                                            
CONECT   29    7    7                                                 
CONECT   30    2   11                                                 
CONECT   31    3    4                                                 
CONECT   32   17   17                                                 
CONECT   33   22                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
