COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.660   0.601  -0.068  1.00  0.00           C  
HETATM    2  C   UNL     1       3.027  -0.241  -0.176  1.00  0.00           C  
HETATM    3  C   UNL     1       5.367  -0.727   0.008  1.00  0.00           C  
HETATM    4  C   UNL     1       2.743  -1.598  -0.122  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.242  -0.564  -1.343  1.00  0.00           C  
HETATM    6  C   UNL     1       0.058  -0.095  -1.402  1.00  0.00           C  
HETATM    7  C   UNL     1       0.740   0.201  -0.233  1.00  0.00           C  
HETATM    8  C   UNL     1       0.114   0.026   0.998  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.188  -0.445   1.049  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.865  -0.734  -0.121  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.281  -1.245  -0.064  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.252  -0.063  -0.095  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.690  -0.582  -0.036  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.098   0.082  -0.009  1.00  0.00           C  
HETATM   15  O   UNL     1       0.780   0.315   2.148  1.00  0.00           O  
HETATM   16  O   UNL     1       2.018   0.662  -0.288  1.00  0.00           O  
HETATM   17  C   UNL     1       4.344   0.193  -0.111  1.00  0.00           C  
HETATM   18  C   UNL     1       5.082  -2.078   0.062  1.00  0.00           C  
HETATM   19  C   UNL     1       3.770  -2.513  -0.002  1.00  0.00           C  
HETATM   20  N   UNL     1       4.651   1.640  -0.170  1.00  0.00           N1+
HETATM   21  O   UNL     1       5.806   2.020  -0.112  1.00  0.00           O1-
HETATM   22  O   UNL     1       3.747   2.451  -0.275  1.00  0.00           O  
HETATM   23  H   UNL     1      -6.472   1.248   0.789  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.515   1.166  -0.988  1.00  0.00           H  
HETATM   25  H   UNL     1       6.392  -0.389   0.059  1.00  0.00           H  
HETATM   26  H   UNL     1       1.719  -1.938  -0.172  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.773  -0.795  -2.255  1.00  0.00           H  
HETATM   28  H   UNL     1       0.541   0.040  -2.358  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.675  -0.582   2.003  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.469  -1.892  -0.921  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.426  -1.810   0.857  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.064   0.584   0.762  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.835  -1.147   0.884  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.286  -0.565  -0.866  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.244  -0.483   0.911  1.00  0.00           H  
HETATM   36  H   UNL     1       0.672   1.228   2.447  1.00  0.00           H  
HETATM   37  H   UNL     1       5.883  -2.796   0.155  1.00  0.00           H  
HETATM   38  H   UNL     1       3.550  -3.569   0.041  1.00  0.00           H  
HETATM   39  C   UNL     1      -9.069   1.264  -0.040  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.106   0.502  -1.015  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.878  -1.229  -0.893  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.881   1.911   0.817  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.924   1.829  -0.961  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.094   0.894   0.001  1.00  0.00           H  
CONECT    1   13   14   23   24                                       
CONECT    2   16   17   17    4                                       
CONECT    3   17   18   18   25                                       
CONECT    4    2   19   19   26                                       
CONECT    5   10   10    6   27                                       
CONECT    6    7    7    5   28                                       
CONECT    7    8   16    6    6                                       
CONECT    8   15    9    9    7                                       
CONECT    9    8    8   10   29                                       
CONECT   10    9   11    5    5                                       
CONECT   11   10   12   30   31                                       
CONECT   12   11   13   32   40                                       
CONECT   13   12    1   33   41                                       
CONECT   14    1   34   35   39                                       
CONECT   15    8   36                                                 
CONECT   16    7    2                                                 
CONECT   17   20    2    2    3                                       
CONECT   18    3    3   19   37                                       
CONECT   19    4    4   18   38                                       
CONECT   20   22   22   21   17                                       
CONECT   21   20                                                      
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   14   42   43   44                                       
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   39                                                      
CONECT   43   39                                                      
CONECT   44   39                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
