COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.682  -2.158   0.280  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.047  -1.204   0.467  1.00  0.00           C  
HETATM    3  N   UNL     1       0.434  -0.096   1.066  1.00  0.00           N  
HETATM    4  S   UNL     1       1.981  -0.079   1.656  1.00  0.00           S  
HETATM    5  C   UNL     1       3.067  -0.249   0.279  1.00  0.00           C  
HETATM    6  C   UNL     1       3.894  -1.348   0.182  1.00  0.00           C  
HETATM    7  C   UNL     1       4.748  -1.483  -0.898  1.00  0.00           C  
HETATM    8  C   UNL     1       4.778  -0.517  -1.888  1.00  0.00           C  
HETATM    9  C   UNL     1       3.956   0.588  -1.804  1.00  0.00           C  
HETATM   10  C   UNL     1       3.089   0.728  -0.719  1.00  0.00           C  
HETATM   11  C   UNL     1       2.205   1.908  -0.623  1.00  0.00           C  
HETATM   12  O   UNL     1       2.328   2.915  -1.508  1.00  0.00           O  
HETATM   13  C   UNL     1       1.427   4.043  -1.353  1.00  0.00           C  
HETATM   14  O   UNL     1       1.368   1.969   0.255  1.00  0.00           O  
HETATM   15  O   UNL     1       2.196   1.224   2.179  1.00  0.00           O  
HETATM   16  O   UNL     1       2.127  -1.261   2.431  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.335  -1.252   0.072  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.287  -0.234   0.221  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.409  -0.655  -0.283  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.567   0.047  -0.327  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.550   1.363   0.230  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.937   1.994   0.089  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.918   3.403   0.685  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.225  -1.930  -0.764  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.246  -2.758  -1.410  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.944  -2.286  -0.545  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.431  -3.348  -0.843  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.126   0.692   1.150  1.00  0.00           H  
HETATM   29  H   UNL     1       3.875  -2.106   0.952  1.00  0.00           H  
HETATM   30  H   UNL     1       5.393  -2.345  -0.969  1.00  0.00           H  
HETATM   31  H   UNL     1       5.447  -0.627  -2.729  1.00  0.00           H  
HETATM   32  H   UNL     1       3.981   1.342  -2.577  1.00  0.00           H  
HETATM   33  H   UNL     1       1.576   4.495  -0.372  1.00  0.00           H  
HETATM   34  H   UNL     1       1.631   4.781  -2.128  1.00  0.00           H  
HETATM   35  H   UNL     1       0.396   3.699  -1.441  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.281   1.308   1.285  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.818   1.972  -0.300  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.205   2.049  -0.966  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.669   1.385   0.619  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.650   3.348   1.740  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.187   4.013   0.155  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.906   3.853   0.585  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.232  -2.580  -2.485  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.039  -3.810  -1.213  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.228  -2.501  -1.011  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   17    1    1                                       
CONECT    3    4    2   28                                            
CONECT    4   16   16    3    5                                       
CONECT    4   15   15                                                 
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   29                                       
CONECT    7    8    8    6   30                                       
CONECT    8    9    7    7   31                                       
CONECT    9   10   10    8   32                                       
CONECT   10   11    9    9    5                                       
CONECT   11   14   14   12   10                                       
CONECT   12   13   11                                                 
CONECT   13   12   33   34   35                                       
CONECT   14   11   11                                                 
CONECT   15    4    4                                                 
CONECT   16    4    4                                                 
CONECT   17   26    2   18                                            
CONECT   18   17   19   19                                            
CONECT   19   24   20   18   18                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   36   37                                       
CONECT   22   21   23   38   39                                       
CONECT   23   22   40   41   42                                       
CONECT   24   25   26   19                                            
CONECT   25   24   43   44   45                                       
CONECT   26   27   27   24   17                                       
CONECT   27   26   26                                                 
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
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
