COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.373   2.533  -0.277  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.662   2.833   1.044  1.00  0.00           C  
HETATM    3  O   UNL     1       4.197   0.368   0.750  1.00  0.00           O  
HETATM    4  C   UNL     1       4.744   0.788  -0.502  1.00  0.00           C  
HETATM    5  C   UNL     1       6.266   0.889  -0.385  1.00  0.00           C  
HETATM    6  C   UNL     1       2.850   0.298   0.586  1.00  0.00           C  
HETATM    7  C   UNL     1       2.042  -0.089   1.648  1.00  0.00           C  
HETATM    8  C   UNL     1       0.676  -0.161   1.486  1.00  0.00           C  
HETATM    9  C   UNL     1       0.919   0.536  -0.814  1.00  0.00           C  
HETATM   10  C   UNL     1       2.284   0.612  -0.643  1.00  0.00           C  
HETATM   11  C   UNL     1       0.103   0.154   0.252  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.363   0.077   0.074  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.053  -1.228   0.171  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.795  -2.229  -0.767  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.442  -3.444  -0.671  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.345  -3.671   0.353  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.606  -2.683   1.285  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.961  -1.466   1.204  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.075   1.203  -0.178  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.533   1.127  -0.356  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.386   1.750   0.562  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.752   1.674   0.388  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.279   0.985  -0.690  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.442   0.366  -1.602  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.074   0.437  -1.446  1.00  0.00           C  
HETATM   26  N   UNL     1       6.828  -0.447  -0.144  1.00  0.00           N1+
HETATM   27  C   UNL     1       6.583  -1.300  -1.315  1.00  0.00           C  
HETATM   28  C   UNL     1       8.274  -0.336   0.087  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.103   3.315  -0.483  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.641   2.498  -1.084  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.153   3.795   0.972  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.394   2.868   1.851  1.00  0.00           H  
HETATM   33  H   UNL     1       0.069   2.051   1.250  1.00  0.00           H  
HETATM   34  H   UNL     1       4.485   0.063  -1.273  1.00  0.00           H  
HETATM   35  H   UNL     1       4.335   1.763  -0.768  1.00  0.00           H  
HETATM   36  H   UNL     1       6.675   1.294  -1.311  1.00  0.00           H  
HETATM   37  H   UNL     1       6.524   1.547   0.445  1.00  0.00           H  
HETATM   38  H   UNL     1       2.486  -0.333   2.602  1.00  0.00           H  
HETATM   39  H   UNL     1       0.048  -0.462   2.312  1.00  0.00           H  
HETATM   40  H   UNL     1       0.480   0.781  -1.770  1.00  0.00           H  
HETATM   41  H   UNL     1       2.916   0.912  -1.466  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.091  -2.052  -1.566  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.243  -4.219  -1.396  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.848  -4.624   0.423  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.312  -2.866   2.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.165  -0.696   1.933  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.976   2.287   1.404  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.412   2.154   1.096  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.350   0.929  -0.820  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.861  -0.171  -2.440  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.422  -0.046  -2.158  1.00  0.00           H  
HETATM   52  H   UNL     1       6.388  -0.855   0.667  1.00  0.00           H  
HETATM   53  H   UNL     1       7.058  -0.859  -2.191  1.00  0.00           H  
HETATM   54  H   UNL     1       7.000  -2.291  -1.136  1.00  0.00           H  
HETATM   55  H   UNL     1       5.510  -1.382  -1.486  1.00  0.00           H  
HETATM   56  H   UNL     1       8.456   0.297   0.955  1.00  0.00           H  
HETATM   57  H   UNL     1       8.691  -1.327   0.265  1.00  0.00           H  
HETATM   58  H   UNL     1       8.749   0.106  -0.790  1.00  0.00           H  
CONECT    1    2   19   29   30                                       
CONECT    2    1   31   32   33                                       
CONECT    3    4    6                                                 
CONECT    4    3    5   34   35                                       
CONECT    5    4   26   36   37                                       
CONECT    6    3    7    7   10                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7   11   11   39                                       
CONECT    9   10   10   11   40                                       
CONECT   10    6    9    9   41                                       
CONECT   11    8    8    9   12                                       
CONECT   12   11   13   19   19                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   13   17   17   46                                       
CONECT   19    1   12   12   20                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   47                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24   49                                       
CONECT   24   23   25   25   50                                       
CONECT   25   20   24   24   51                                       
CONECT   26    5   27   28   52                                       
CONECT   27   26   53   54   55                                       
CONECT   28   26   56   57   58                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
