COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.582  -0.256   0.970  1.00  0.00           C  
HETATM    2  C   UNL     1       4.212   1.744   0.859  1.00  0.00           C  
HETATM    3  O   UNL     1       4.849   2.184   1.796  1.00  0.00           O  
HETATM    4  N   UNL     1       4.589   0.585   0.295  1.00  0.00           N  
HETATM    5  N   UNL     1       3.143   2.427   0.415  1.00  0.00           N  
HETATM    6  C   UNL     1       2.276   1.873  -0.627  1.00  0.00           C  
HETATM    7  C   UNL     1       1.261   0.954   0.001  1.00  0.00           C  
HETATM    8  O   UNL     1       1.513   0.396   1.048  1.00  0.00           O  
HETATM    9  C   UNL     1       3.123   1.089  -1.632  1.00  0.00           C  
HETATM   10  C   UNL     1       4.071   0.184  -0.880  1.00  0.00           C  
HETATM   11  O   UNL     1       4.364  -0.901  -1.334  1.00  0.00           O  
HETATM   12  N   UNL     1       0.072   0.752  -0.601  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.961  -0.045   0.066  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.275   0.691   0.013  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.342   1.774  -0.528  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.102  -1.393  -0.643  1.00  0.00           C  
HETATM   17  C   UNL     1       0.163  -2.191  -0.463  1.00  0.00           C  
HETATM   18  N   UNL     1       0.378  -3.128   0.473  1.00  0.00           N1+
HETATM   19  C   UNL     1       1.275  -2.093  -1.217  1.00  0.00           C  
HETATM   20  C   UNL     1       1.582  -3.610   0.331  1.00  0.00           C  
HETATM   21  N   UNL     1       2.176  -2.991  -0.712  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.375   0.145   0.568  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.715   0.751   0.588  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.214   0.940  -0.821  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.523   0.603  -1.759  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.644  -0.218   1.349  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.654  -1.050   2.205  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.437  -1.161   1.248  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.428   1.483  -1.039  1.00  0.00           N  
HETATM   30  H   UNL     1       5.951   0.259   1.857  1.00  0.00           H  
HETATM   31  H   UNL     1       5.120  -1.199   1.262  1.00  0.00           H  
HETATM   32  H   UNL     1       6.412  -0.452   0.292  1.00  0.00           H  
HETATM   33  H   UNL     1       2.943   3.298   0.791  1.00  0.00           H  
HETATM   34  H   UNL     1       1.763   2.685  -1.141  1.00  0.00           H  
HETATM   35  H   UNL     1       2.472   0.485  -2.264  1.00  0.00           H  
HETATM   36  H   UNL     1       3.691   1.783  -2.251  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.100   1.133  -1.476  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.678  -0.209   1.106  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.942  -1.942  -0.217  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.279  -1.228  -1.706  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.262  -3.403   1.149  1.00  0.00           H  
HETATM   42  H   UNL     1       1.426  -1.433  -2.058  1.00  0.00           H  
HETATM   43  H   UNL     1       2.028  -4.379   0.944  1.00  0.00           H  
HETATM   44  H   UNL     1       3.073  -3.155  -1.043  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.679   1.712   1.100  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.337   0.332   1.986  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.186  -0.859   0.653  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.388  -0.521   3.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.063  -2.035   2.429  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.593  -1.960   0.524  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.523  -1.336   1.817  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.981   1.752  -0.289  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.749   1.604  -1.947  1.00  0.00           H  
CONECT    1    4   30   31   32                                       
CONECT    2    3    3    4    5                                       
CONECT    3    2    2                                                 
CONECT    4    1    2   10                                            
CONECT    5    6   33    2                                            
CONECT    6    5    7    9   34                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   35   36                                       
CONECT   10    9   11   11    4                                       
CONECT   11   10   10                                                 
CONECT   12   13   37    7                                            
CONECT   13   12   14   16   38                                       
CONECT   14   13   15   15   22                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   39   40                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   20   20   41                                       
CONECT   19   17   17   21   42                                       
CONECT   20   18   18   21   43                                       
CONECT   21   19   20   44                                            
CONECT   22   23   28   14                                            
CONECT   23   22   24   26   45                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   46   47                                       
CONECT   27   26   28   48   49                                       
CONECT   28   22   27   50   51                                       
CONECT   29   52   53   24                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
