COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.999  -2.267   0.121  1.00  0.00           O  
HETATM    2  C   UNL     1       3.032  -1.055   0.055  1.00  0.00           C  
HETATM    3  C   UNL     1       4.254  -0.224   0.036  1.00  0.00           C  
HETATM    4  C   UNL     1       5.609  -0.499   0.080  1.00  0.00           C  
HETATM    5  C   UNL     1       6.527   0.551   0.042  1.00  0.00           C  
HETATM    6  N   UNL     1       7.891   0.280   0.086  1.00  0.00           N  
HETATM    7  C   UNL     1       6.086   1.867  -0.040  1.00  0.00           C  
HETATM    8  C   UNL     1       4.733   2.149  -0.083  1.00  0.00           C  
HETATM    9  C   UNL     1       3.810   1.113  -0.046  1.00  0.00           C  
HETATM   10  N   UNL     1       1.962  -0.243  -0.018  1.00  0.00           N  
HETATM   11  C   UNL     1       2.337   1.048  -0.075  1.00  0.00           C  
HETATM   12  O   UNL     1       1.587   2.001  -0.142  1.00  0.00           O  
HETATM   13  C   UNL     1       0.629  -0.684  -0.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.406   0.238  -0.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.716  -0.195  -0.122  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.000  -1.554  -0.056  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.963  -2.476   0.023  1.00  0.00           C  
HETATM   18  C   UNL     1       0.347  -2.042   0.029  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.672  -2.107  -0.071  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.588  -0.603  -0.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.040  -0.016  -1.184  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.758   1.162  -1.135  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.028   1.761   0.089  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.755   2.956   0.138  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.576   1.174   1.264  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.863  -0.007   1.215  1.00  0.00           C  
HETATM   27  H   UNL     1       5.953  -1.520   0.144  1.00  0.00           H  
HETATM   28  H   UNL     1       8.201  -0.637   0.142  1.00  0.00           H  
HETATM   29  H   UNL     1       8.531   1.008   0.059  1.00  0.00           H  
HETATM   30  H   UNL     1       6.804   2.673  -0.069  1.00  0.00           H  
HETATM   31  H   UNL     1       4.396   3.173  -0.146  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.186   1.294  -0.160  1.00  0.00           H  
HETATM   33  H   UNL     1       1.153  -2.759   0.085  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.522   0.522  -0.182  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.182  -3.532   0.074  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.830  -0.481  -2.136  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.515  -0.466   2.129  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.110   1.619  -2.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.071   3.365  -0.683  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.944   3.374   0.993  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.786   1.640   2.215  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    9    9                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5   28   29                                            
CONECT    7    5    8    8   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    3    3    8   11                                       
CONECT   10    2   11   13                                            
CONECT   11    9   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   18   18                                       
CONECT   14   13   15   15   32                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   35                                       
CONECT   18   13   13   17   33                                       
CONECT   19   16   20                                                 
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   22   36                                       
CONECT   22   21   21   23   38                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   39   40                                            
CONECT   25   23   23   26   41                                       
CONECT   26   20   20   25   37                                       
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   14                                                      
CONECT   33   18                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   21                                                      
CONECT   37   26                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
