COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.141   0.096   0.113  1.00  0.00           C  
HETATM    2  C   UNL     1       8.170  -1.022   0.296  1.00  0.00           C  
HETATM    3  N   UNL     1       7.944  -2.064  -0.715  1.00  0.00           N  
HETATM    4  C   UNL     1       6.590  -2.624  -0.597  1.00  0.00           C  
HETATM    5  C   UNL     1       5.561  -1.506  -0.781  1.00  0.00           C  
HETATM    6  N   UNL     1       5.787  -0.464   0.231  1.00  0.00           N  
HETATM    7  C   UNL     1       4.825   0.536   0.140  1.00  0.00           C  
HETATM    8  C   UNL     1       3.479   0.204   0.230  1.00  0.00           C  
HETATM    9  N   UNL     1       5.201   1.795  -0.025  1.00  0.00           N  
HETATM   10  C   UNL     1       4.326   2.779  -0.116  1.00  0.00           C  
HETATM   11  C   UNL     1       2.972   2.533  -0.042  1.00  0.00           C  
HETATM   12  C   UNL     1       2.526   1.218   0.138  1.00  0.00           C  
HETATM   13  C   UNL     1       1.077   0.912   0.227  1.00  0.00           C  
HETATM   14  C   UNL     1       0.140   1.939   0.132  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.208   1.651   0.216  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.376   2.929   0.098  1.00  0.00          Cl  
HETATM   17  C   UNL     1       0.651  -0.404   0.399  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.697  -0.687   0.482  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.228  -2.325   0.697  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -1.629   0.339   0.393  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.956   0.059   0.475  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.635  -0.232  -0.748  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.087  -0.516  -0.462  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.017   0.512  -0.463  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.598   1.931  -0.750  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.342   0.204  -0.195  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.689  -1.109   0.063  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.777  -2.061   0.056  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.509  -1.806  -0.200  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.507  -2.931  -0.195  1.00  0.00           C  
HETATM   31  H   UNL     1       7.288   0.856   0.880  1.00  0.00           H  
HETATM   32  H   UNL     1       7.264   0.545  -0.873  1.00  0.00           H  
HETATM   33  H   UNL     1       9.174  -0.614   0.180  1.00  0.00           H  
HETATM   34  H   UNL     1       8.065  -1.453   1.292  1.00  0.00           H  
HETATM   35  H   UNL     1       8.108  -1.707  -1.645  1.00  0.00           H  
HETATM   36  H   UNL     1       6.443  -3.383  -1.365  1.00  0.00           H  
HETATM   37  H   UNL     1       6.467  -3.073   0.388  1.00  0.00           H  
HETATM   38  H   UNL     1       5.666  -1.075  -1.776  1.00  0.00           H  
HETATM   39  H   UNL     1       4.557  -1.913  -0.665  1.00  0.00           H  
HETATM   40  H   UNL     1       3.175  -0.823   0.368  1.00  0.00           H  
HETATM   41  H   UNL     1       4.676   3.792  -0.249  1.00  0.00           H  
HETATM   42  H   UNL     1       2.264   3.345  -0.117  1.00  0.00           H  
HETATM   43  H   UNL     1       0.467   2.959  -0.005  1.00  0.00           H  
HETATM   44  H   UNL     1       1.376  -1.202   0.468  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.558   0.624  -1.418  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.180  -1.104  -1.218  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.665   2.120  -1.821  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.256   2.619  -0.218  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.571   2.081  -0.418  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.093   0.980  -0.188  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.719  -1.357   0.273  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.436  -3.359  -1.195  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.532  -2.548   0.106  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.828  -3.700   0.507  1.00  0.00           H  
CONECT    1    2    6   31   32                                       
CONECT    2    3    1   33   34                                       
CONECT    3    2    4   35                                            
CONECT    4    3    5   36   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6    1    5    7                                            
CONECT    7    6    9    9    8                                       
CONECT    8    7   12   12   40                                       
CONECT    9    7    7   10                                            
CONECT   10    9   11   11   41                                       
CONECT   11   10   10   12   42                                       
CONECT   12    8    8   11   13                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15                                                      
CONECT   17   13   18   18   44                                       
CONECT   18   17   17   20   19                                       
CONECT   19   18                                                      
CONECT   20   15   15   18   21                                       
CONECT   21   20   22                                                 
CONECT   22   23   21   45   46                                       
CONECT   23   29   24   24   22                                       
CONECT   24   26   23   23   25                                       
CONECT   25   24   47   48   49                                       
CONECT   26   27   27   24   50                                       
CONECT   27   28   26   26   51                                       
CONECT   28   29   29   27                                            
CONECT   29   30   28   28   23                                       
CONECT   30   29   52   53   54                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
