COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.360  -0.650  -0.825  1.00  0.00           C  
HETATM    2  C   UNL     1       2.806  -2.226   0.318  1.00  0.00           C  
HETATM    3  C   UNL     1       1.532  -2.629   0.668  1.00  0.00           C  
HETATM    4  C   UNL     1       0.429  -1.892   0.247  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.518  -1.014  -0.214  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.880  -0.819  -0.257  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.433   0.326  -0.985  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.562   0.965   0.164  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.695   0.284  -0.688  1.00  0.00           C  
HETATM   10  C   UNL     1       2.532  -4.453   1.820  1.00  0.00           C  
HETATM   11  C   UNL     1       3.729   1.673  -0.349  1.00  0.00           C  
HETATM   12  C   UNL     1       5.996   1.115  -1.305  1.00  0.00           C  
HETATM   13  C   UNL     1       4.446   2.570   0.666  1.00  0.00           C  
HETATM   14  C   UNL     1       4.770   1.761   1.924  1.00  0.00           C  
HETATM   15  C   UNL     1       3.543   3.749   1.035  1.00  0.00           C  
HETATM   16  O   UNL     1       5.659   3.060   0.088  1.00  0.00           O  
HETATM   17  C   UNL     1       6.603   2.039  -0.243  1.00  0.00           C  
HETATM   18  N   UNL     1       4.682   0.659  -0.826  1.00  0.00           N  
HETATM   19  O   UNL     1       5.195  -1.482  -1.123  1.00  0.00           O  
HETATM   20  C   UNL     1       2.994  -1.075  -0.455  1.00  0.00           C  
HETATM   21  C   UNL     1       1.897  -0.329  -0.876  1.00  0.00           C  
HETATM   22  O   UNL     1       1.355  -3.745   1.423  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.905  -2.027   0.423  1.00  0.00           O  
HETATM   24  C   UNL     1       0.610  -0.740  -0.534  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.632  -0.240  -0.785  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.937   0.309  -0.879  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.943   0.950   0.262  1.00  0.00           C  
HETATM   28 CL   UNL     1      -7.729   1.767   1.576  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -7.068  -0.376  -1.728  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.689  -0.361  -1.825  1.00  0.00           C  
HETATM   31  H   UNL     1       3.661  -2.800   0.646  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.474  -1.440   0.194  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.049   1.250  -0.555  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.143   0.264  -2.034  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.974   1.485   0.906  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.773   0.272  -0.613  1.00  0.00           H  
HETATM   37  H   UNL     1       3.169  -3.796   2.412  1.00  0.00           H  
HETATM   38  H   UNL     1       2.250  -5.321   2.416  1.00  0.00           H  
HETATM   39  H   UNL     1       3.074  -4.782   0.933  1.00  0.00           H  
HETATM   40  H   UNL     1       2.880   1.184   0.129  1.00  0.00           H  
HETATM   41  H   UNL     1       3.381   2.275  -1.189  1.00  0.00           H  
HETATM   42  H   UNL     1       5.877   1.660  -2.241  1.00  0.00           H  
HETATM   43  H   UNL     1       6.649   0.256  -1.461  1.00  0.00           H  
HETATM   44  H   UNL     1       5.415   0.923   1.661  1.00  0.00           H  
HETATM   45  H   UNL     1       5.280   2.399   2.646  1.00  0.00           H  
HETATM   46  H   UNL     1       3.845   1.385   2.362  1.00  0.00           H  
HETATM   47  H   UNL     1       2.618   3.375   1.472  1.00  0.00           H  
HETATM   48  H   UNL     1       4.054   4.386   1.757  1.00  0.00           H  
HETATM   49  H   UNL     1       3.315   4.326   0.139  1.00  0.00           H  
HETATM   50  H   UNL     1       6.842   1.461   0.649  1.00  0.00           H  
HETATM   51  H   UNL     1       7.511   2.497  -0.635  1.00  0.00           H  
HETATM   52  H   UNL     1       2.041   0.557  -1.476  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.656  -0.896  -2.470  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.200  -0.877  -2.638  1.00  0.00           H  
CONECT    1   18   20   19   19                                       
CONECT    2   20   20    3   31                                       
CONECT    3    4    4    2   22                                       
CONECT    4   24   23    3    3                                       
CONECT    5   25   25    6   23                                       
CONECT    6    7    5   32                                            
CONECT    7   26    6   33   34                                       
CONECT    8   26   26   27   35                                       
CONECT    9   29   27   27   36                                       
CONECT   10   22   37   38   39                                       
CONECT   11   18   13   40   41                                       
CONECT   12   17   18   42   43                                       
CONECT   13   11   16   14   15                                       
CONECT   14   13   44   45   46                                       
CONECT   15   13   47   48   49                                       
CONECT   16   17   13                                                 
CONECT   17   12   16   50   51                                       
CONECT   18   11   12    1                                            
CONECT   19    1    1                                                 
CONECT   20   21    1    2    2                                       
CONECT   21   24   24   20   52                                       
CONECT   22    3   10                                                 
CONECT   23    5    4                                                 
CONECT   24   25   21   21    4                                       
CONECT   25    5    5   24                                            
CONECT   26   30    7    8    8                                       
CONECT   27    9    9    8   28                                       
CONECT   28   27                                                      
CONECT   29   30   30    9   53                                       
CONECT   30   29   29   26   54                                       
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
