COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.693   0.475   0.135  1.00  0.00           C  
HETATM    2  C   UNL     1       3.542   1.293  -0.563  1.00  0.00           C  
HETATM    3  C   UNL     1       4.190   0.003  -0.130  1.00  0.00           C  
HETATM    4  C   UNL     1       4.170  -1.096  -0.968  1.00  0.00           C  
HETATM    5  C   UNL     1       4.764  -2.279  -0.570  1.00  0.00           C  
HETATM    6  C   UNL     1       5.378  -2.363   0.666  1.00  0.00           C  
HETATM    7  C   UNL     1       5.398  -1.264   1.504  1.00  0.00           C  
HETATM    8  C   UNL     1       4.808  -0.079   1.104  1.00  0.00           C  
HETATM    9  C   UNL     1       1.536   2.632  -0.331  1.00  0.00           C  
HETATM   10  C   UNL     1       0.220   2.694   0.444  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.920   1.515   0.405  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.844  -0.520   0.190  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.308  -0.460   0.541  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.984  -1.771   0.134  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.043   0.530   0.458  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.210  -0.615  -0.441  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.930  -0.698  -0.762  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.092   0.373  -0.488  1.00  0.00           C  
HETATM   19  C   UNL     1       1.363   0.284  -0.858  1.00  0.00           C  
HETATM   20  N   UNL     1       2.136   1.302  -0.139  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.628   1.496   0.110  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.386  -1.513  -0.334  1.00  0.00           O  
HETATM   23  H   UNL     1       4.065   2.134  -0.107  1.00  0.00           H  
HETATM   24  H   UNL     1       3.594   1.379  -1.649  1.00  0.00           H  
HETATM   25  H   UNL     1       3.691  -1.031  -1.933  1.00  0.00           H  
HETATM   26  H   UNL     1       4.749  -3.138  -1.224  1.00  0.00           H  
HETATM   27  H   UNL     1       5.842  -3.287   0.977  1.00  0.00           H  
HETATM   28  H   UNL     1       5.877  -1.329   2.470  1.00  0.00           H  
HETATM   29  H   UNL     1       4.828   0.781   1.757  1.00  0.00           H  
HETATM   30  H   UNL     1       1.344   2.792  -1.391  1.00  0.00           H  
HETATM   31  H   UNL     1       2.216   3.398   0.041  1.00  0.00           H  
HETATM   32  H   UNL     1       0.429   2.701   1.513  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.316   3.604   0.174  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.418  -0.312   1.615  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.775   0.370   0.010  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.874  -1.918  -0.940  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.517  -2.600   0.665  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.043  -1.727   0.388  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.409   1.325   0.877  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.542  -1.590  -1.232  1.00  0.00           H  
HETATM   41  H   UNL     1       1.740  -0.705  -0.600  1.00  0.00           H  
HETATM   42  H   UNL     1       1.472   0.440  -1.932  1.00  0.00           H  
CONECT    1   16   16   11   15                                       
CONECT    2   20    3   23   24                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   25                                       
CONECT    5    4    4    6   26                                       
CONECT    6    7    7    5   27                                       
CONECT    7    8    6    6   28                                       
CONECT    8    3    3    7   29                                       
CONECT    9   10   20   30   31                                       
CONECT   10    9   21   32   33                                       
CONECT   11   21   21    1                                            
CONECT   12   22   22   15   13                                       
CONECT   13   14   12   34   35                                       
CONECT   14   13   36   37   38                                       
CONECT   15    1   12   39                                            
CONECT   16   17    1    1                                            
CONECT   17   18   18   16   40                                       
CONECT   18   19   17   17   21                                       
CONECT   19   18   20   41   42                                       
CONECT   20    9    2   19                                            
CONECT   21   18   10   11   11                                       
CONECT   22   12   12                                                 
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
