COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.160   0.837   0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       4.683   0.694   0.451  1.00  0.00           C  
HETATM    3  C   UNL     1       3.830   1.598  -0.449  1.00  0.00           C  
HETATM    4  C   UNL     1       2.369   1.492  -0.014  1.00  0.00           C  
HETATM    5  N   UNL     1       1.523   2.191  -0.983  1.00  0.00           N  
HETATM    6  C   UNL     1       0.279   2.694  -0.591  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.153   2.535   0.719  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.381   3.037   1.106  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.179   3.698   0.188  1.00  0.00           C  
HETATM   10 CL   UNL     1      -3.721   4.328   0.678  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -1.751   3.857  -1.118  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.525   3.357  -1.510  1.00  0.00           C  
HETATM   13  C   UNL     1       1.946   0.049   0.067  1.00  0.00           C  
HETATM   14  C   UNL     1       0.599  -0.254   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1       0.175  -1.580   0.090  1.00  0.00           C  
HETATM   16  C   UNL     1       1.114  -2.603   0.218  1.00  0.00           C  
HETATM   17  C   UNL     1       2.457  -2.298   0.269  1.00  0.00           C  
HETATM   18  C   UNL     1       2.877  -0.973   0.191  1.00  0.00           C  
HETATM   19  N   UNL     1       4.248  -0.692   0.236  1.00  0.00           N  
HETATM   20  C   UNL     1       5.154  -1.678   0.083  1.00  0.00           C  
HETATM   21  C   UNL     1       4.750  -2.980  -0.559  1.00  0.00           C  
HETATM   22  O   UNL     1       6.295  -1.518   0.464  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.270  -1.901   0.034  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.692  -3.230   0.109  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.034  -3.529   0.057  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.975  -2.503  -0.070  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.551  -1.173  -0.145  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.208  -0.875  -0.088  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.414  -2.823  -0.126  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.782  -3.979  -0.062  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.320  -1.833  -0.249  1.00  0.00           O  
HETATM   32  H   UNL     1       6.332   0.399  -0.904  1.00  0.00           H  
HETATM   33  H   UNL     1       6.429   1.894   0.058  1.00  0.00           H  
HETATM   34  H   UNL     1       6.773   0.322   0.819  1.00  0.00           H  
HETATM   35  H   UNL     1       4.537   0.969   1.495  1.00  0.00           H  
HETATM   36  H   UNL     1       4.166   2.631  -0.353  1.00  0.00           H  
HETATM   37  H   UNL     1       3.928   1.277  -1.487  1.00  0.00           H  
HETATM   38  H   UNL     1       2.251   1.957   0.965  1.00  0.00           H  
HETATM   39  H   UNL     1       1.826   2.306  -1.898  1.00  0.00           H  
HETATM   40  H   UNL     1       0.469   2.020   1.435  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.717   2.914   2.124  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.376   4.372  -1.832  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.189   3.486  -2.528  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.128   0.538  -0.083  1.00  0.00           H  
HETATM   45  H   UNL     1       0.790  -3.632   0.278  1.00  0.00           H  
HETATM   46  H   UNL     1       3.185  -3.089   0.369  1.00  0.00           H  
HETATM   47  H   UNL     1       3.734  -2.895  -0.945  1.00  0.00           H  
HETATM   48  H   UNL     1       5.432  -3.207  -1.379  1.00  0.00           H  
HETATM   49  H   UNL     1       4.793  -3.779   0.181  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.966  -4.022   0.207  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.361  -4.557   0.115  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.276  -0.379  -0.244  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.880   0.152  -0.146  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.251  -2.092  -0.282  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1   19   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    5    3   13   38                                       
CONECT    5    6    4   39                                            
CONECT    6    7    7   12    5                                       
CONECT    7    8    6    6   40                                       
CONECT    8    9    9    7   41                                       
CONECT    9   10    8    8   11                                       
CONECT   10    9                                                      
CONECT   11    9   12   12   42                                       
CONECT   12   11   11    6   43                                       
CONECT   13    4   14   14   18                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   23   16   16                                       
CONECT   16   15   15   17   45                                       
CONECT   17   18   18   16   46                                       
CONECT   18   13   19   17   17                                       
CONECT   19    2   18   20                                            
CONECT   20   19   22   22   21                                       
CONECT   21   20   47   48   49                                       
CONECT   22   20   20                                                 
CONECT   23   28   15   24   24                                       
CONECT   24   23   23   25   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   27   29   25   25                                       
CONECT   27   28   28   26   52                                       
CONECT   28   27   27   23   53                                       
CONECT   29   30   30   26   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   54                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
