COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.766  -0.113   0.070  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.865   1.980   0.446  1.00  0.00           N  
HETATM    3  C   UNL     1       2.548  -1.475   0.220  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.387  -2.375   0.522  1.00  0.00           N  
HETATM    5  C   UNL     1       3.604  -2.361   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1       4.879  -1.892  -0.137  1.00  0.00           C  
HETATM    7  C   UNL     1       5.102  -0.530  -0.287  1.00  0.00           C  
HETATM    8  C   UNL     1       4.044   0.359  -0.183  1.00  0.00           C  
HETATM    9  C   UNL     1       4.284   1.838  -0.346  1.00  0.00           C  
HETATM   10  C   UNL     1       0.419   0.193   0.297  1.00  0.00           C  
HETATM   11  O   UNL     1       6.356  -0.070  -0.535  1.00  0.00           O  
HETATM   12  O   UNL     1       1.726   0.756   0.167  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.608   1.296   0.271  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.959   1.009   0.468  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.525   3.236   0.239  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.204   3.590   0.036  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.225   2.606   0.052  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.386  -0.387   0.705  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.267  -1.102  -0.051  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.964  -0.624  -1.248  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.692  -1.579  -2.412  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.469  -0.570  -0.975  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.613  -2.429   1.576  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.970  -1.200   1.721  1.00  0.00           C  
HETATM   25  H   UNL     1       1.552  -1.844   0.417  1.00  0.00           H  
HETATM   26  H   UNL     1       3.432  -3.421   0.232  1.00  0.00           H  
HETATM   27  H   UNL     1       5.703  -2.586  -0.217  1.00  0.00           H  
HETATM   28  H   UNL     1       4.172   2.111  -1.395  1.00  0.00           H  
HETATM   29  H   UNL     1       3.560   2.392   0.252  1.00  0.00           H  
HETATM   30  H   UNL     1       5.292   2.082  -0.012  1.00  0.00           H  
HETATM   31  H   UNL     1       0.236  -0.494  -0.530  1.00  0.00           H  
HETATM   32  H   UNL     1       0.348  -0.347   1.241  1.00  0.00           H  
HETATM   33  H   UNL     1       6.574  -0.009  -1.475  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.289   3.999   0.227  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.937   4.623  -0.133  1.00  0.00           H  
HETATM   36  H   UNL     1       0.814   2.859  -0.104  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.606   0.372  -1.504  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.129  -2.554  -2.193  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.137  -1.179  -3.323  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.616  -1.686  -2.550  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.663   0.110  -0.146  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.988  -0.215  -1.865  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.828  -1.567  -0.719  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.493  -3.284   2.226  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.268  -0.938   2.499  1.00  0.00           H  
CONECT    1    8   12    3    3                                       
CONECT    2   14   14   15                                            
CONECT    3    1    1    5   25                                       
CONECT    4   23   23   19                                            
CONECT    5    6    6    3   26                                       
CONECT    6    7    5    5   27                                       
CONECT    7   11    8    8    6                                       
CONECT    8    9    7    7    1                                       
CONECT    9    8   28   29   30                                       
CONECT   10   12   13   31   32                                       
CONECT   11    7   33                                                 
CONECT   12    1   10                                                 
CONECT   13   14   10   17   17                                       
CONECT   14   18    2    2   13                                       
CONECT   15    2   16   16   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   13   13   16   36                                       
CONECT   18   19   24   24   14                                       
CONECT   19    4   20   18                                            
CONECT   20   21   19   22   37                                       
CONECT   21   20   38   39   40                                       
CONECT   22   20   41   42   43                                       
CONECT   23    4    4   24   44                                       
CONECT   24   23   18   18   45                                       
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
