COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.475   2.345  -0.551  1.00  0.00           C  
HETATM    2  C   UNL     1       0.088   2.645   0.017  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.767   1.405   0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   1.540   0.062  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.954   0.422   0.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.452   0.579   0.118  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.783   1.967   0.178  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.396  -0.841  -0.010  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.267  -2.038  -0.017  1.00  0.00           N1+
HETATM   10  O   UNL     1      -2.774  -3.150  -0.074  1.00  0.00           O1-
HETATM   11  O   UNL     1      -4.477  -1.910   0.035  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.024  -0.985  -0.069  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.206   0.139  -0.063  1.00  0.00           C  
HETATM   14  N   UNL     1       1.182  -0.028  -0.131  1.00  0.00           N  
HETATM   15  C   UNL     1       2.054   1.119   0.169  1.00  0.00           C  
HETATM   16  C   UNL     1       3.471   0.839  -0.337  1.00  0.00           C  
HETATM   17  N   UNL     1       3.954  -0.424   0.236  1.00  0.00           N  
HETATM   18  C   UNL     1       5.315  -0.726  -0.228  1.00  0.00           C  
HETATM   19  C   UNL     1       6.329  -0.009   0.665  1.00  0.00           C  
HETATM   20  C   UNL     1       5.553  -2.236  -0.160  1.00  0.00           C  
HETATM   21  H   UNL     1       1.395   2.137  -1.618  1.00  0.00           H  
HETATM   22  H   UNL     1       2.128   3.203  -0.394  1.00  0.00           H  
HETATM   23  H   UNL     1       0.189   3.003   1.042  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.390   3.415  -0.588  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.585   2.524   0.113  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.901   0.136  -0.771  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.833   0.075   1.007  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.733   2.144   0.221  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.586  -1.971  -0.119  1.00  0.00           H  
HETATM   30  H   UNL     1       1.564  -0.886  -0.373  1.00  0.00           H  
HETATM   31  H   UNL     1       2.074   1.297   1.244  1.00  0.00           H  
HETATM   32  H   UNL     1       3.461   0.765  -1.424  1.00  0.00           H  
HETATM   33  H   UNL     1       4.132   1.652  -0.034  1.00  0.00           H  
HETATM   34  H   UNL     1       3.912  -0.404   1.244  1.00  0.00           H  
HETATM   35  H   UNL     1       5.432  -0.386  -1.257  1.00  0.00           H  
HETATM   36  H   UNL     1       7.339  -0.233   0.321  1.00  0.00           H  
HETATM   37  H   UNL     1       6.159   1.066   0.617  1.00  0.00           H  
HETATM   38  H   UNL     1       6.212  -0.350   1.694  1.00  0.00           H  
HETATM   39  H   UNL     1       4.831  -2.747  -0.797  1.00  0.00           H  
HETATM   40  H   UNL     1       6.563  -2.460  -0.505  1.00  0.00           H  
HETATM   41  H   UNL     1       5.436  -2.577   0.868  1.00  0.00           H  
CONECT    1    2   15   21   22                                       
CONECT    2    3    1   23   24                                       
CONECT    3    4    4   13    2                                       
CONECT    4    5    3    3   25                                       
CONECT    5    6    8    8    4                                       
CONECT    6    5    7   26   27                                       
CONECT    7    6   28                                                 
CONECT    8    9    5    5   12                                       
CONECT    9   11   11   10    8                                       
CONECT   10    9                                                      
CONECT   11    9    9                                                 
CONECT   12    8   13   13   29                                       
CONECT   13   12   12    3   14                                       
CONECT   14   13   15   30                                            
CONECT   15   14   16    1   31                                       
CONECT   16   15   17   32   33                                       
CONECT   17   16   18   34                                            
CONECT   18   17   20   19   35                                       
CONECT   19   18   36   37   38                                       
CONECT   20   18   39   40   41                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
