COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.653   5.045   0.686  1.00  0.00           C  
HETATM    2  C   UNL     1       3.477  -0.218  -0.134  1.00  0.00           C  
HETATM    3  O   UNL     1       0.256  -5.881   1.893  1.00  0.00           O  
HETATM    4  C   UNL     1       0.685  -4.535   2.107  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.048  -4.399  -2.140  1.00  0.00           C  
HETATM    6  C   UNL     1       1.492  -2.452   0.984  1.00  0.00           C  
HETATM    7  C   UNL     1       1.665  -1.753  -0.368  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.221  -3.141  -1.233  1.00  0.00           C  
HETATM    9  C   UNL     1       0.312  -1.713  -1.086  1.00  0.00           C  
HETATM   10  C   UNL     1       0.915  -3.852   0.758  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.328  -3.746   0.060  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.508  -3.107  -1.852  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.626  -0.923  -0.309  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.586  -0.269  -0.991  1.00  0.00           C  
HETATM   15  O   UNL     1       2.143  -0.399  -0.156  1.00  0.00           O  
HETATM   16  O   UNL     1       0.600  -1.694   1.804  1.00  0.00           O  
HETATM   17  O   UNL     1       4.222  -1.165  -0.287  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.637  -0.356  -2.202  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.575   0.555  -0.267  1.00  0.00           C  
HETATM   20  C   UNL     1       4.036   1.134   0.076  1.00  0.00           C  
HETATM   21  C   UNL     1       3.184   2.224   0.258  1.00  0.00           C  
HETATM   22  C   UNL     1       5.419   1.325   0.099  1.00  0.00           C  
HETATM   23  C   UNL     1       3.712   3.484   0.454  1.00  0.00           C  
HETATM   24  C   UNL     1       5.934   2.589   0.297  1.00  0.00           C  
HETATM   25  C   UNL     1       5.083   3.667   0.471  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.335  -0.006   0.762  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.751   1.899  -0.605  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.258   0.768   1.434  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.676   2.662   0.074  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.945   2.502  -1.690  1.00  0.00           N1+
HETATM   31  C   UNL     1      -4.431   2.099   1.090  1.00  0.00           C  
HETATM   32 CL   UNL     1      -5.595   3.066   1.941  1.00  0.00          Cl  
HETATM   33  O   UNL     1      -2.181   3.636  -2.065  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.045   1.864  -2.207  1.00  0.00           O1-
HETATM   35  H   UNL     1       5.800   5.216   1.753  1.00  0.00           H  
HETATM   36  H   UNL     1       6.610   5.127   0.170  1.00  0.00           H  
HETATM   37  H   UNL     1       4.962   5.790   0.291  1.00  0.00           H  
HETATM   38  H   UNL     1       0.090  -6.376   2.707  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.081  -3.994   2.663  1.00  0.00           H  
HETATM   40  H   UNL     1       1.614  -4.537   2.677  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.151  -4.964  -1.214  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.026  -4.287  -2.609  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.380  -4.929  -2.818  1.00  0.00           H  
HETATM   44  H   UNL     1       2.460  -2.533   1.479  1.00  0.00           H  
HETATM   45  H   UNL     1       2.383  -2.305  -0.974  1.00  0.00           H  
HETATM   46  H   UNL     1       0.464  -3.723  -1.851  1.00  0.00           H  
HETATM   47  H   UNL     1       0.437  -1.267  -2.072  1.00  0.00           H  
HETATM   48  H   UNL     1       1.615  -4.442   0.166  1.00  0.00           H  
HETATM   49  H   UNL     1       0.443  -2.081   2.676  1.00  0.00           H  
HETATM   50  H   UNL     1       2.113   2.083   0.244  1.00  0.00           H  
HETATM   51  H   UNL     1       6.084   0.485  -0.036  1.00  0.00           H  
HETATM   52  H   UNL     1       3.054   4.328   0.594  1.00  0.00           H  
HETATM   53  H   UNL     1       7.003   2.739   0.315  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.201  -1.043   1.030  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.846   0.336   2.229  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.813   3.701  -0.186  1.00  0.00           H  
CONECT    1   25   35   36   37                                       
CONECT    2   17   17   20   15                                       
CONECT    3    4   38                                                 
CONECT    4   10    3   39   40                                       
CONECT    5   12   41   42   43                                       
CONECT    6    7   10   16   44                                       
CONECT    7    9   15    6   45                                       
CONECT    8    9   12   11   46                                       
CONECT    9    8    7   13   47                                       
CONECT   10   11    6    4   48                                       
CONECT   11    8   10                                                 
CONECT   12    5    8                                                 
CONECT   13    9   14                                                 
CONECT   14   18   18   13   19                                       
CONECT   15    2    7                                                 
CONECT   16    6   49                                                 
CONECT   17    2    2                                                 
CONECT   18   14   14                                                 
CONECT   19   14   26   26   27                                       
CONECT   20   21    2   22   22                                       
CONECT   21   23   23   20   50                                       
CONECT   22   20   20   24   51                                       
CONECT   23   21   21   25   52                                       
CONECT   24   25   25   22   53                                       
CONECT   25   23    1   24   24                                       
CONECT   26   19   19   28   54                                       
CONECT   27   19   30   29   29                                       
CONECT   28   26   31   31   55                                       
CONECT   29   27   27   31   56                                       
CONECT   30   34   27   33   33                                       
CONECT   31   28   28   29   32                                       
CONECT   32   31                                                      
CONECT   33   30   30                                                 
CONECT   34   30                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   16                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
