COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.160  -0.428  -2.917  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.475   0.950  -2.848  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.252   1.712  -3.929  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.979   1.463  -1.725  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.197   0.716  -0.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.911  -0.650  -0.663  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.154  -1.417   0.481  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.852  -2.850   0.480  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.379  -1.240  -1.798  1.00  0.00           C  
HETATM   10  C   UNL     1       0.375  -0.941  -4.124  1.00  0.00           C  
HETATM   11  N   UNL     1       0.698  -2.276  -4.243  1.00  0.00           N  
HETATM   12  N   UNL     1       0.557  -0.104  -5.136  1.00  0.00           N  
HETATM   13  C   UNL     1       0.248   1.184  -5.030  1.00  0.00           C  
HETATM   14  N   UNL     1       0.462   2.007  -6.120  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.710  -0.786   1.681  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.587  -0.294   2.556  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.870   0.341   3.756  1.00  0.00           C  
HETATM   18  C   UNL     1       0.163   0.796   4.561  1.00  0.00           C  
HETATM   19  C   UNL     1       1.475   0.614   4.169  1.00  0.00           C  
HETATM   20  C   UNL     1       1.758  -0.022   2.969  1.00  0.00           C  
HETATM   21  C   UNL     1       0.724  -0.471   2.161  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.162   0.520   4.142  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.127   1.196   5.400  1.00  0.00           C  
HETATM   24  O   UNL     1       3.050  -0.201   2.583  1.00  0.00           O  
HETATM   25  C   UNL     1       3.869   0.365   3.608  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.607   1.170   0.222  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.105  -3.276   1.451  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.436  -3.344  -0.296  1.00  0.00           H  
HETATM   29  H   UNL     1       0.210  -2.998   0.285  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.145  -2.294  -1.820  1.00  0.00           H  
HETATM   31  H   UNL     1       1.064  -2.614  -5.076  1.00  0.00           H  
HETATM   32  H   UNL     1       0.559  -2.877  -3.495  1.00  0.00           H  
HETATM   33  H   UNL     1       0.829   1.640  -6.940  1.00  0.00           H  
HETATM   34  H   UNL     1       0.245   2.950  -6.066  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.307  -1.515   2.230  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.340   0.053   1.390  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.057   1.291   5.495  1.00  0.00           H  
HETATM   38  H   UNL     1       2.280   0.967   4.796  1.00  0.00           H  
HETATM   39  H   UNL     1       0.945  -0.966   1.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.145   1.362   5.752  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.587   0.586   6.125  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.621   2.154   5.284  1.00  0.00           H  
HETATM   43  H   UNL     1       4.919   0.245   3.341  1.00  0.00           H  
HETATM   44  H   UNL     1       3.640   1.426   3.711  1.00  0.00           H  
HETATM   45  H   UNL     1       3.674  -0.142   4.552  1.00  0.00           H  
CONECT    1    2    2    9   10                                       
CONECT    2    1    1    3    4                                       
CONECT    3    2   13   13                                            
CONECT    4    2    5    5                                            
CONECT    5    4    4    6   26                                       
CONECT    6    5    7    9    9                                       
CONECT    7    6    8   15                                            
CONECT    8    7   27   28   29                                       
CONECT    9    1    6    6   30                                       
CONECT   10    1   11   12   12                                       
CONECT   11   10   31   32                                            
CONECT   12   10   10   13                                            
CONECT   13    3    3   12   14                                       
CONECT   14   13   33   34                                            
CONECT   15    7   16   35   36                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   19   37                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   21   21   24                                       
CONECT   21   16   20   20   39                                       
CONECT   22   17   23                                                 
CONECT   23   22   40   41   42                                       
CONECT   24   20   25                                                 
CONECT   25   24   43   44   45                                       
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
