COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.068   0.676  -0.575  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.449   1.245  -0.241  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.489   0.660  -1.199  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.413   2.668  -0.383  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.440   3.310   0.445  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.460   4.817   0.183  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.049   2.754   0.123  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.060   1.295   0.289  1.00  0.00           N  
HETATM    9  C   UNL     1       1.210   0.743   0.150  1.00  0.00           C  
HETATM   10  C   UNL     1       2.302   1.502   0.574  1.00  0.00           C  
HETATM   11  C   UNL     1       3.582   1.002   0.468  1.00  0.00           C  
HETATM   12  C   UNL     1       3.790  -0.258  -0.061  1.00  0.00           C  
HETATM   13  C   UNL     1       2.714  -1.012  -0.485  1.00  0.00           C  
HETATM   14  C   UNL     1       1.424  -0.516  -0.385  1.00  0.00           C  
HETATM   15  C   UNL     1       0.290  -1.379  -0.880  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.057  -0.837  -0.335  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.157  -1.114   1.138  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.216  -0.620   1.961  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.128  -1.816   1.640  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.098  -2.337   0.873  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.984  -2.989   1.397  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.118  -2.157  -0.456  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.201  -1.473  -1.072  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.278  -1.329  -2.405  1.00  0.00           O  
HETATM   25  N   UNL     1       5.164  -0.798  -0.173  1.00  0.00           N1+
HETATM   26  O   UNL     1       5.345  -1.908  -0.639  1.00  0.00           O  
HETATM   27  O   UNL     1       6.112  -0.132   0.201  1.00  0.00           O1-
HETATM   28  H   UNL     1      -0.831   0.882  -1.618  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.712   0.985   0.785  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.799  -0.322  -0.844  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.354   1.321  -1.243  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.053   0.566  -2.194  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.673   3.120   1.493  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.450   5.212   0.412  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.719   5.306   0.814  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.227   5.006  -0.865  1.00  0.00           H  
HETATM   37  H   UNL     1       0.211   2.997  -0.907  1.00  0.00           H  
HETATM   38  H   UNL     1       0.685   3.193   0.799  1.00  0.00           H  
HETATM   39  H   UNL     1       2.143   2.486   0.988  1.00  0.00           H  
HETATM   40  H   UNL     1       4.422   1.595   0.798  1.00  0.00           H  
HETATM   41  H   UNL     1       2.879  -1.996  -0.898  1.00  0.00           H  
HETATM   42  H   UNL     1       0.278  -1.371  -1.969  1.00  0.00           H  
HETATM   43  H   UNL     1       0.432  -2.401  -0.526  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.310  -0.816   2.903  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.026  -1.751  -2.850  1.00  0.00           H  
CONECT    1    8    2   16   28                                       
CONECT    2    4    1    3   29                                       
CONECT    3    2   30   31   32                                       
CONECT    4    5    2                                                 
CONECT    5    6    7    4   33                                       
CONECT    6    5   34   35   36                                       
CONECT    7    5    8   37   38                                       
CONECT    8    7    9    1                                            
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   39                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   25   13   13                                       
CONECT   13   12   12   14   41                                       
CONECT   14    9    9   13   15                                       
CONECT   15   14   16   42   43                                       
CONECT   16    1   15   17   23                                       
CONECT   17   18   16   19   19                                       
CONECT   18   17   44                                                 
CONECT   19   17   17   20                                            
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   20                                            
CONECT   23   16   24   22   22                                       
CONECT   24   23   45                                                 
CONECT   25   26   26   12   27                                       
CONECT   26   25   25                                                 
CONECT   27   25                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
