COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.986   1.371   0.472  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.652   1.749  -0.696  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.662   2.689  -0.637  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.004   3.266   0.573  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.343   2.900   1.732  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.337   1.958   1.689  1.00  0.00           C  
HETATM    7  C   UNL     1       0.092   0.360   0.419  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.191  -1.012   0.579  1.00  0.00           C  
HETATM    9  C   UNL     1       2.419  -0.260   0.170  1.00  0.00           C  
HETATM   10  C   UNL     1       0.859  -1.931   0.522  1.00  0.00           C  
HETATM   11  C   UNL     1       1.433   0.738   0.206  1.00  0.00           C  
HETATM   12  C   UNL     1       1.795   2.159   0.030  1.00  0.00           C  
HETATM   13  C   UNL     1       3.837   0.118  -0.052  1.00  0.00           C  
HETATM   14  C   UNL     1       0.567  -3.400   0.692  1.00  0.00           C  
HETATM   15  C   UNL     1       3.329  -3.036  -1.167  1.00  0.00           C  
HETATM   16  C   UNL     1       3.161  -2.543   0.271  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.576  -1.470   0.806  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.724  -2.234  -0.021  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.664  -1.027  -0.004  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.136  -3.186  -1.145  1.00  0.00           C  
HETATM   21  N   UNL     1       2.098  -1.537   0.322  1.00  0.00           N1+
HETATM   22  O   UNL     1       1.807   2.703  -1.202  1.00  0.00           O  
HETATM   23  O   UNL     1       2.082   2.836   0.997  1.00  0.00           O  
HETATM   24  O   UNL     1       4.652   0.319   1.000  1.00  0.00           O  
HETATM   25  O   UNL     1       4.261   0.244  -1.183  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.007  -1.565   1.937  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.362  -1.783  -0.243  1.00  0.00           O  
HETATM   28 CL   UNL     1      -1.223   1.026  -2.215  1.00  0.00          Cl  
HETATM   29  H   UNL     1      -3.182   2.979  -1.538  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.791   4.004   0.613  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.616   3.354   2.674  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.823   1.673   2.595  1.00  0.00           H  
HETATM   33  H   UNL     1       0.632  -3.663   1.748  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.436  -3.616   0.325  1.00  0.00           H  
HETATM   35  H   UNL     1       1.295  -3.982   0.128  1.00  0.00           H  
HETATM   36  H   UNL     1       4.120  -3.785  -1.205  1.00  0.00           H  
HETATM   37  H   UNL     1       2.394  -3.477  -1.512  1.00  0.00           H  
HETATM   38  H   UNL     1       3.594  -2.196  -1.810  1.00  0.00           H  
HETATM   39  H   UNL     1       2.897  -3.383   0.914  1.00  0.00           H  
HETATM   40  H   UNL     1       4.096  -2.102   0.616  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.783  -2.754   0.935  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.687  -1.365   0.163  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.370  -0.349   0.797  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.605  -0.507  -0.960  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.467  -4.045  -1.157  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.159  -3.524  -0.978  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.077  -2.665  -2.101  1.00  0.00           H  
HETATM   48  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   49  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    1    5    5   32                                       
CONECT    7    1    8    8   11                                       
CONECT    8    7    7   10   17                                       
CONECT    9   11   11   13   21                                       
CONECT   10    8   14   21   21                                       
CONECT   11    7    9    9   12                                       
CONECT   12   11   22   22   23                                       
CONECT   13    9   24   24   25                                       
CONECT   14   10   33   34   35                                       
CONECT   15   16   36   37   38                                       
CONECT   16   15   21   39   40                                       
CONECT   17    8   26   26   27                                       
CONECT   18   19   20   27   41                                       
CONECT   19   18   42   43   44                                       
CONECT   20   18   45   46   47                                       
CONECT   21    9   10   10   16                                       
CONECT   22   12   12                                                 
CONECT   23   12   48                                                 
CONECT   24   13   13                                                 
CONECT   25   13   49                                                 
CONECT   26   17   17                                                 
CONECT   27   17   18                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
