COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.811   1.420  -1.126  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.214   0.486  -0.072  1.00  0.00           C  
HETATM    3  C   UNL     1       0.739  -0.237  -5.570  1.00  0.00           C  
HETATM    4  O   UNL     1       0.510  -0.928  -6.703  1.00  0.00           O  
HETATM    5  O   UNL     1       1.808   0.312  -5.398  1.00  0.00           O  
HETATM    6  B   UNL     1       1.140  -0.102  -0.602  1.00  0.00           B  
HETATM    7  O   UNL     1       2.211   0.768  -0.935  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.280   0.022  -2.595  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.062   0.648  -2.396  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.518  -0.688  -3.757  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.079   0.572  -3.361  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.542  -0.776  -4.728  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.311  -0.146  -4.535  1.00  0.00           C  
HETATM   14  O   UNL     1       1.295  -1.506  -0.748  1.00  0.00           O  
HETATM   15  C   UNL     1       0.081   0.460   4.808  1.00  0.00           C  
HETATM   16  C   UNL     1       1.186  -0.222   5.279  1.00  0.00           C  
HETATM   17  C   UNL     1       1.064  -1.069   6.364  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.162  -1.232   6.979  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.267  -0.548   6.509  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.145   0.301   5.426  1.00  0.00           C  
HETATM   21  C   UNL     1       0.213   1.384   3.624  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.036   0.612   2.354  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.297  -0.570   2.405  1.00  0.00           O  
HETATM   24  N   UNL     1       0.028   1.237   1.162  1.00  0.00           N  
HETATM   25  H   UNL     1      -1.752   1.829  -0.758  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.115   2.234  -1.327  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.911  -0.327   0.129  1.00  0.00           H  
HETATM   28  H   UNL     1       1.197  -0.987  -7.380  1.00  0.00           H  
HETATM   29  H   UNL     1       2.941   0.210  -1.236  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.048   0.088  -1.838  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.471  -1.175  -3.906  1.00  0.00           H  
HETATM   32  H   UNL     1       0.870   1.062  -3.205  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.729  -1.331  -5.635  1.00  0.00           H  
HETATM   34  H   UNL     1       2.190  -1.655  -1.082  1.00  0.00           H  
HETATM   35  H   UNL     1       2.145  -0.095   4.798  1.00  0.00           H  
HETATM   36  H   UNL     1       1.928  -1.604   6.732  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.257  -1.895   7.827  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.226  -0.676   6.989  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.008   0.836   5.059  1.00  0.00           H  
HETATM   40  H   UNL     1       1.219   1.804   3.602  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.514   2.190   3.709  1.00  0.00           H  
HETATM   42  H   UNL     1       0.237   2.183   1.121  1.00  0.00           H  
CONECT    1    2    9   25   26                                       
CONECT    2    1    6   24   27                                       
CONECT    3    4    5    5   13                                       
CONECT    4    3   28                                                 
CONECT    5    3    3                                                 
CONECT    6    2    7   14                                            
CONECT    7    6   29                                                 
CONECT    8    9    9   10   30                                       
CONECT    9    1    8    8   11                                       
CONECT   10    8   12   12   31                                       
CONECT   11    9   13   13   32                                       
CONECT   12   10   10   13   33                                       
CONECT   13    3   11   11   12                                       
CONECT   14    6   34                                                 
CONECT   15   16   16   20   21                                       
CONECT   16   15   15   17   35                                       
CONECT   17   16   18   18   36                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   15   19   19   39                                       
CONECT   21   15   22   40   41                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24    2   22   42                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
