COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.984  -1.426  -1.578  1.00  0.00           C  
HETATM    2  C   UNL     1       7.311  -0.407  -0.930  1.00  0.00           C  
HETATM    3  C   UNL     1       6.680  -0.653   0.275  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.054  -1.826   1.465  1.00  0.00           N  
HETATM    5  C   UNL     1       4.510   0.481   0.524  1.00  0.00           C  
HETATM    6  C   UNL     1       2.332   1.421   0.601  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.089   1.792   0.107  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.311   1.455  -0.923  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.515   2.339  -1.321  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.725   1.387  -1.338  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.983   0.256  -0.207  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.161  -0.675  -0.267  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.104  -1.906   0.709  1.00  0.00           C  
HETATM   14  O   UNL     1       4.122  -0.323  -0.296  1.00  0.00           O  
HETATM   15  C   UNL     1       5.946   0.457   0.982  1.00  0.00           C  
HETATM   16  C   UNL     1       6.722  -1.918   0.832  1.00  0.00           C  
HETATM   17  C   UNL     1       7.395  -2.937   0.184  1.00  0.00           C  
HETATM   18  C   UNL     1       8.027  -2.690  -1.021  1.00  0.00           C  
HETATM   19  N   UNL     1       3.658   1.398   1.025  1.00  0.00           N  
HETATM   20  S   UNL     1       1.104   2.555   1.153  1.00  0.00           S  
HETATM   21  N   UNL     1       0.472   0.817  -0.539  1.00  0.00           N  
HETATM   22  N   UNL     1       1.807   0.614  -0.267  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.419   2.175  -0.009  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.220   0.039  -0.999  1.00  0.00           N  
HETATM   25  S   UNL     1      -6.784  -1.083  -0.814  1.00  0.00           S  
HETATM   26  N   UNL     1      -8.293  -2.542   1.047  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.983  -1.147   0.927  1.00  0.00           N  
HETATM   28  H   UNL     1       8.474  -1.235  -2.522  1.00  0.00           H  
HETATM   29  H   UNL     1       7.278   0.581  -1.365  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.768   1.122  -1.807  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.665   3.128  -0.584  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.356   2.771  -2.309  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.459   1.706  -0.599  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.175   1.377  -2.331  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.341  -0.624  -0.247  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.223   0.510   0.825  1.00  0.00           H  
HETATM   37  H   UNL     1       5.980   0.288   2.058  1.00  0.00           H  
HETATM   38  H   UNL     1       6.418   1.411   0.749  1.00  0.00           H  
HETATM   39  H   UNL     1       6.229  -2.110   1.773  1.00  0.00           H  
HETATM   40  H   UNL     1       7.428  -3.924   0.619  1.00  0.00           H  
HETATM   41  H   UNL     1       8.549  -3.487  -1.530  1.00  0.00           H  
HETATM   42  H   UNL     1       3.969   2.042   1.680  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.757   2.918   0.514  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.384  -2.973   1.911  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.031  -2.555   0.418  1.00  0.00           H  
CONECT    1    2    2   18   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2   15   16   16                                       
CONECT    4   27   13   13                                            
CONECT    5   14   14   19   15                                       
CONECT    6   20   19   22   22                                       
CONECT    7   23   20   21   21                                       
CONECT    8    9   23   11   30                                       
CONECT    9   10    8   31   32                                       
CONECT   10   24    9   33   34                                       
CONECT   11   24    8   35   36                                       
CONECT   12   27   27   24   25                                       
CONECT   13    4    4   26   25                                       
CONECT   14    5    5                                                 
CONECT   15    5    3   37   38                                       
CONECT   16    3    3   17   39                                       
CONECT   17   18   18   16   40                                       
CONECT   18    1   17   17   41                                       
CONECT   19    5    6   42                                            
CONECT   20    7    6                                                 
CONECT   21    7    7   22                                            
CONECT   22    6    6   21                                            
CONECT   23    8    7   43                                            
CONECT   24   10   12   11                                            
CONECT   25   13   12                                                 
CONECT   26   13   44   45                                            
CONECT   27    4   12   12                                            
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
