COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.053  -0.693   0.086  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.133   0.442  -0.160  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.846  -0.838  -0.132  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.919  -0.556  -1.522  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.004  -0.141  -0.436  1.00  0.00           C  
HETATM    6  C   UNL     1       1.412  -3.118   0.228  1.00  0.00           C  
HETATM    7  C   UNL     1       3.625  -4.033  -0.483  1.00  0.00           C  
HETATM    8  C   UNL     1       3.523  -1.767   0.563  1.00  0.00           C  
HETATM    9  C   UNL     1       5.521  -0.277   0.740  1.00  0.00           C  
HETATM   10  C   UNL     1       3.771   3.367  -1.306  1.00  0.00           C  
HETATM   11  C   UNL     1       3.099   3.509   0.061  1.00  0.00           C  
HETATM   12  C   UNL     1       1.683   3.000  -0.020  1.00  0.00           C  
HETATM   13  C   UNL     1       0.539   3.776  -0.165  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.509   2.987  -0.198  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.081   1.660  -0.075  1.00  0.00           N  
HETATM   16  C   UNL     1       1.285   1.672   0.036  1.00  0.00           C  
HETATM   17  N   UNL     1       1.970   0.526   0.164  1.00  0.00           N  
HETATM   18  C   UNL     1       1.346  -0.639   0.191  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.758   0.468  -0.050  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.326  -0.591  -0.269  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.284  -0.326  -1.601  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.407  -0.182   0.740  1.00  0.00           N1+
HETATM   23  C   UNL     1      -5.110  -0.397   0.852  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.178   0.013   1.912  1.00  0.00           O  
HETATM   25  N   UNL     1       2.074  -1.810   0.324  1.00  0.00           N  
HETATM   26  C   UNL     1       2.136  -3.960  -0.827  1.00  0.00           C  
HETATM   27  C   UNL     1       4.223  -2.625  -0.496  1.00  0.00           C  
HETATM   28  C   UNL     1       4.017  -0.322   0.461  1.00  0.00           C  
HETATM   29  O   UNL     1       5.959   1.083   0.769  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.566  -1.643   0.108  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.627   1.270  -0.256  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.504  -1.462  -0.957  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.648  -1.344   0.813  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.330  -0.700  -2.416  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.068   0.039  -0.489  1.00  0.00           H  
HETATM   36  H   UNL     1       1.458  -3.622   1.193  1.00  0.00           H  
HETATM   37  H   UNL     1       0.371  -2.982  -0.064  1.00  0.00           H  
HETATM   38  H   UNL     1       3.747  -4.470   0.508  1.00  0.00           H  
HETATM   39  H   UNL     1       4.138  -4.652  -1.219  1.00  0.00           H  
HETATM   40  H   UNL     1       3.741  -2.161   1.555  1.00  0.00           H  
HETATM   41  H   UNL     1       5.727  -0.746   1.702  1.00  0.00           H  
HETATM   42  H   UNL     1       6.052  -0.814  -0.046  1.00  0.00           H  
HETATM   43  H   UNL     1       3.218   3.947  -2.045  1.00  0.00           H  
HETATM   44  H   UNL     1       4.795   3.735  -1.247  1.00  0.00           H  
HETATM   45  H   UNL     1       3.778   2.318  -1.600  1.00  0.00           H  
HETATM   46  H   UNL     1       3.651   2.929   0.800  1.00  0.00           H  
HETATM   47  H   UNL     1       3.091   4.559   0.355  1.00  0.00           H  
HETATM   48  H   UNL     1       0.517   4.853  -0.239  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.778  -0.292  -2.561  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.656  -0.423   1.832  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.541  -0.803   2.283  1.00  0.00           H  
HETATM   52  H   UNL     1       1.716  -4.966  -0.840  1.00  0.00           H  
HETATM   53  H   UNL     1       2.011  -3.501  -1.808  1.00  0.00           H  
HETATM   54  H   UNL     1       5.289  -2.680  -0.274  1.00  0.00           H  
HETATM   55  H   UNL     1       4.079  -2.178  -1.480  1.00  0.00           H  
HETATM   56  H   UNL     1       3.822   0.059  -0.541  1.00  0.00           H  
HETATM   57  H   UNL     1       3.493   0.293   1.193  1.00  0.00           H  
HETATM   58  H   UNL     1       6.916   1.186   0.865  1.00  0.00           H  
CONECT    1   19   19   18   30                                       
CONECT    2   19    3   31                                            
CONECT    3    2   20   32   33                                       
CONECT    4   20   20   21   34                                       
CONECT    5   21   21   22   35                                       
CONECT    6   25   26   36   37                                       
CONECT    7   27   26   38   39                                       
CONECT    8   28   25   27   40                                       
CONECT    9   29   28   41   42                                       
CONECT   10   11   43   44   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   19                                            
CONECT   16   12   12   15   17                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17    1   25                                       
CONECT   19   15    2    1    1                                       
CONECT   20    3    4    4   23                                       
CONECT   21    4    5    5   49                                       
CONECT   22   23   23    5   24                                       
CONECT   23   20   22   22   50                                       
CONECT   24   22   51                                                 
CONECT   25   18    8    6                                            
CONECT   26    6    7   52   53                                       
CONECT   27    8    7   54   55                                       
CONECT   28    9    8   56   57                                       
CONECT   29    9   58                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
