COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.841   2.485  -1.720  1.00  0.00           C  
HETATM    2  C   UNL     1       2.374   3.664  -1.230  1.00  0.00           C  
HETATM    3  C   UNL     1       2.283   1.270  -1.238  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.796   0.876  -0.461  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.940   1.642  -0.341  1.00  0.00           C  
HETATM    6  C   UNL     1       3.356   3.635  -0.259  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.123  -0.250   0.534  1.00  0.00           C  
HETATM    8  C   UNL     1       3.273   1.228  -0.258  1.00  0.00           C  
HETATM    9  C   UNL     1       3.296  -1.423  -0.135  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.814  -0.460  -0.083  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.101   1.081   0.156  1.00  0.00           C  
HETATM   12  C   UNL     1       3.813   2.422   0.231  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.983  -1.022   0.416  1.00  0.00           C  
HETATM   14  C   UNL     1       3.750  -0.074   0.263  1.00  0.00           C  
HETATM   15  C   UNL     1       4.060  -2.247   0.652  1.00  0.00           C  
HETATM   16  C   UNL     1       2.271  -1.791  -1.126  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.595  -0.740   0.678  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.209  -1.296  -1.601  1.00  0.00           C  
HETATM   19  C   UNL     1       0.584  -1.719   0.653  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.054  -2.298  -1.720  1.00  0.00           C  
HETATM   21  C   UNL     1       4.028  -3.753   0.677  1.00  0.00           C  
HETATM   22  C   UNL     1       5.280   3.651   1.641  1.00  0.00           C  
HETATM   23  N   UNL     1       4.666  -0.278   1.176  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.659  -1.237  -0.204  1.00  0.00           N  
HETATM   25  N   UNL     1       0.985  -1.931  -0.746  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.324   1.905   0.284  1.00  0.00           N1+
HETATM   27  O   UNL     1      -7.348   1.411   0.722  1.00  0.00           O  
HETATM   28  O   UNL     1       2.585  -1.970  -2.287  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.306   3.076  -0.048  1.00  0.00           O1-
HETATM   30  O   UNL     1       4.839  -1.453   1.391  1.00  0.00           O  
HETATM   31  O   UNL     1       4.779   2.393   1.186  1.00  0.00           O  
HETATM   32 CL   UNL     1      -4.011  -2.691   0.891  1.00  0.00          Cl  
HETATM   33  H   UNL     1       1.074   2.516  -2.479  1.00  0.00           H  
HETATM   34  H   UNL     1       2.021   4.612  -1.610  1.00  0.00           H  
HETATM   35  H   UNL     1       1.861   0.351  -1.619  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.891   1.315  -0.854  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.927   2.681  -0.635  1.00  0.00           H  
HETATM   38  H   UNL     1       3.769   4.560   0.119  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.032  -0.685   0.923  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.976  -0.657   1.696  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.263   0.239   0.333  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.868  -0.310  -1.915  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.035  -1.615  -2.237  1.00  0.00           H  
HETATM   44  H   UNL     1       1.419  -1.300   1.214  1.00  0.00           H  
HETATM   45  H   UNL     1       0.283  -2.667   1.098  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.418  -3.303  -1.506  1.00  0.00           H  
HETATM   47  H   UNL     1       0.359  -2.262  -2.728  1.00  0.00           H  
HETATM   48  H   UNL     1       4.742  -4.144  -0.047  1.00  0.00           H  
HETATM   49  H   UNL     1       4.292  -4.106   1.674  1.00  0.00           H  
HETATM   50  H   UNL     1       3.026  -4.100   0.423  1.00  0.00           H  
HETATM   51  H   UNL     1       6.044   3.485   2.400  1.00  0.00           H  
HETATM   52  H   UNL     1       5.714   4.194   0.801  1.00  0.00           H  
HETATM   53  H   UNL     1       4.464   4.234   2.067  1.00  0.00           H  
CONECT    1    2    2    3   33                                       
CONECT    2    1    1    6   34                                       
CONECT    3    1    8    8   35                                       
CONECT    4   10   10    5   36                                       
CONECT    5    4   11   11   37                                       
CONECT    6    2   12   12   38                                       
CONECT    7   13   13   11   39                                       
CONECT    8    3    3   12   14                                       
CONECT    9   16   15   15   14                                       
CONECT   10    4    4   24   13                                       
CONECT   11    5    5    7   26                                       
CONECT   12    6    6    8   31                                       
CONECT   13    7    7   10   32                                       
CONECT   14    8    9   23   23                                       
CONECT   15    9    9   21   30                                       
CONECT   16    9   28   28   25                                       
CONECT   17   19   24   40   41                                       
CONECT   18   20   24   42   43                                       
CONECT   19   17   25   44   45                                       
CONECT   20   18   25   46   47                                       
CONECT   21   15   48   49   50                                       
CONECT   22   31   51   52   53                                       
CONECT   23   14   14   30                                            
CONECT   24   10   17   18                                            
CONECT   25   16   19   20                                            
CONECT   26   11   27   27   29                                       
CONECT   27   26   26                                                 
CONECT   28   16   16                                                 
CONECT   29   26                                                      
CONECT   30   15   23                                                 
CONECT   31   12   22                                                 
CONECT   32   13                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
