COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.402  -1.687   0.099  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.809  -1.853   0.282  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.145  -3.322   0.283  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.269  -4.142   0.141  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.417  -3.720   0.441  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.930  -0.415   0.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.560  -0.178  -0.108  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.628  -1.310  -0.273  1.00  0.00           C  
HETATM    9  N   UNL     1       0.688  -1.079  -0.448  1.00  0.00           N  
HETATM   10  C   UNL     1       1.614  -2.203  -0.611  1.00  0.00           C  
HETATM   11  C   UNL     1       3.015  -1.678  -0.789  1.00  0.00           C  
HETATM   12  C   UNL     1       3.822  -1.475   0.315  1.00  0.00           C  
HETATM   13  C   UNL     1       5.107  -0.993   0.153  1.00  0.00           C  
HETATM   14  N   UNL     1       5.971  -0.775   1.335  1.00  0.00           N1+
HETATM   15  O   UNL     1       5.549  -1.020   2.451  1.00  0.00           O1-
HETATM   16  O   UNL     1       7.103  -0.350   1.192  1.00  0.00           O  
HETATM   17  C   UNL     1       5.586  -0.715  -1.113  1.00  0.00           C  
HETATM   18  C   UNL     1       4.780  -0.918  -2.218  1.00  0.00           C  
HETATM   19  C   UNL     1       3.496  -1.405  -2.056  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.047  -2.451  -0.251  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.082   1.132  -0.133  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.967   2.193   0.023  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.462   3.588  -0.004  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.104   3.837  -0.190  1.00  0.00           C  
HETATM   25  C   UNL     1       0.359   5.137  -0.214  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.522   6.191  -0.054  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.872   5.949   0.132  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.346   4.654   0.152  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.329   1.946   0.203  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.804   0.652   0.223  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.107  -1.412   1.233  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.342  -1.359  -0.530  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.584  -4.672   0.434  1.00  0.00           H  
HETATM   34  H   UNL     1       1.023  -0.169  -0.465  1.00  0.00           H  
HETATM   35  H   UNL     1       1.573  -2.839   0.273  1.00  0.00           H  
HETATM   36  H   UNL     1       1.329  -2.783  -1.489  1.00  0.00           H  
HETATM   37  H   UNL     1       3.448  -1.692   1.305  1.00  0.00           H  
HETATM   38  H   UNL     1       6.590  -0.338  -1.240  1.00  0.00           H  
HETATM   39  H   UNL     1       5.154  -0.701  -3.207  1.00  0.00           H  
HETATM   40  H   UNL     1       2.866  -1.564  -2.918  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.028   1.321  -0.272  1.00  0.00           H  
HETATM   42  H   UNL     1       0.585   3.015  -0.315  1.00  0.00           H  
HETATM   43  H   UNL     1       1.411   5.332  -0.358  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.155   7.207  -0.074  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.555   6.776   0.257  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.401   4.466   0.292  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.013   2.773   0.324  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.860   0.469   0.359  1.00  0.00           H  
CONECT    1    6    2                                                 
CONECT    2    1    3   31   32                                       
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   33                                                 
CONECT    6    7    1   30   30                                       
CONECT    7    8   21   21    6                                       
CONECT    8   20   20    9    7                                       
CONECT    9   10    8   34                                            
CONECT   10   11    9   35   36                                       
CONECT   11   12   12   19   10                                       
CONECT   12   13   11   11   37                                       
CONECT   13   14   17   17   12                                       
CONECT   14   16   16   15   13                                       
CONECT   15   14                                                      
CONECT   16   14   14                                                 
CONECT   17   13   13   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   11   40                                       
CONECT   20    8    8                                                 
CONECT   21    7    7   22   41                                       
CONECT   22   21   23   29   29                                       
CONECT   23   24   22   28   28                                       
CONECT   24   25   25   23   42                                       
CONECT   25   24   24   26   43                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   23   23   27   46                                       
CONECT   29   22   22   30   47                                       
CONECT   30    6    6   29   48                                       
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
