COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.975  -0.692  -0.029  1.00  0.00           C  
HETATM    2  C   UNL     1       4.366  -1.412  -0.405  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.584  -0.214  -0.156  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.317   1.126  -0.467  1.00  0.00           C  
HETATM    5  C   UNL     1       3.660   0.641   0.611  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.999   1.526  -0.574  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.314  -0.622  -0.089  1.00  0.00           C  
HETATM    8  C   UNL     1       2.049  -1.061   0.104  1.00  0.00           C  
HETATM    9  C   UNL     1       2.353   0.195   0.613  1.00  0.00           C  
HETATM   10  C   UNL     1       4.665  -0.162   0.103  1.00  0.00           C  
HETATM   11  C   UNL     1       6.517   1.263  -1.488  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.716  -1.982   0.219  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.034   0.640  -0.382  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.381  -1.979   0.155  1.00  0.00           C  
HETATM   15  N   UNL     1       0.727  -1.516   0.104  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.614  -0.354   0.113  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.163  -0.761   0.093  1.00  0.00           C  
HETATM   18  S   UNL     1       6.332   0.412   0.102  1.00  0.00           S  
HETATM   19  O   UNL     1       6.382   1.342   1.175  1.00  0.00           O  
HETATM   20  O   UNL     1       7.111  -0.777   0.126  1.00  0.00           O  
HETATM   21  C   UNL     1       3.061  -1.864  -0.407  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.561  -1.049   0.029  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.118   0.076  -0.067  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.185   1.529  -0.247  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.642   1.950  -0.453  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.624   2.223   0.995  1.00  0.00           C  
HETATM   27  H   UNL     1       5.153  -2.034  -0.805  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.123   1.829  -0.619  1.00  0.00           H  
HETATM   29  H   UNL     1       3.897   1.617   1.007  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.759   2.552  -0.813  1.00  0.00           H  
HETATM   31  H   UNL     1       1.568   0.822   1.010  1.00  0.00           H  
HETATM   32  H   UNL     1       6.328   0.561  -2.301  1.00  0.00           H  
HETATM   33  H   UNL     1       5.804   2.086  -1.546  1.00  0.00           H  
HETATM   34  H   UNL     1       7.531   1.655  -1.575  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.739  -2.844   0.235  1.00  0.00           H  
HETATM   36  H   UNL     1       0.538  -2.458   0.240  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.870   0.031   1.100  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.785   0.421  -0.634  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.237  -1.219  -0.113  1.00  0.00           H  
HETATM   40  H   UNL     1       2.827  -2.841  -0.804  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.598   1.814  -1.120  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.693   3.032  -0.576  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.039   1.463  -1.343  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.231   1.656   0.416  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.164   1.880   1.878  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.566   1.982   1.100  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.742   3.302   0.893  1.00  0.00           H  
CONECT    1    3   23   14   14                                       
CONECT    2   10   10   21   27                                       
CONECT    3   22   22    4    1                                       
CONECT    4    6    6    3   28                                       
CONECT    5   10    9    9   29                                       
CONECT    6   13    4    4   30                                       
CONECT    7   15   13   13   22                                       
CONECT    8   21   21    9   15                                       
CONECT    9    5    5    8   31                                       
CONECT   10   18    2    2    5                                       
CONECT   11   18   32   33   34                                       
CONECT   12   17   17   14                                            
CONECT   13    7    7    6                                            
CONECT   14    1    1   12   35                                       
CONECT   15    8    7   36                                            
CONECT   16   17   37   38   39                                       
CONECT   17   23   16   12   12                                       
CONECT   18   19   19   11   20                                       
CONECT   18   20   10                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    2    8    8   40                                       
CONECT   22    7    3    3                                            
CONECT   23   24    1   17                                            
CONECT   24   26   25   23   41                                       
CONECT   25   24   42   43   44                                       
CONECT   26   24   45   46   47                                       
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
