COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.259   0.262   1.048  1.00  0.00           C  
HETATM    2  C   UNL     1       4.738  -1.172   0.933  1.00  0.00           C  
HETATM    3  C   UNL     1       0.809  -2.468  -1.091  1.00  0.00           C  
HETATM    4  C   UNL     1       1.288  -2.414   0.205  1.00  0.00           C  
HETATM    5  C   UNL     1       0.410  -2.282   1.264  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.949  -2.201   1.031  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.433  -2.254  -0.269  1.00  0.00           C  
HETATM    8  C   UNL     1       2.770  -2.502   0.463  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.713   3.117   0.448  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.732   2.224   0.151  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.450   0.910  -0.126  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.404   2.688   0.462  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.100   1.359   0.184  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.118   0.447  -0.112  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.383  -0.989  -0.285  1.00  0.00           C  
HETATM   16  N   UNL     1       3.349  -1.152   0.454  1.00  0.00           N  
HETATM   17  C   UNL     1       3.257  -0.549  -0.882  1.00  0.00           C  
HETATM   18  C   UNL     1       3.734   0.904  -0.821  1.00  0.00           C  
HETATM   19  C   UNL     1       5.182   0.940  -0.323  1.00  0.00           C  
HETATM   20  C   UNL     1       5.638   2.371  -0.204  1.00  0.00           C  
HETATM   21  O   UNL     1       5.655   3.163  -1.287  1.00  0.00           O  
HETATM   22  O   UNL     1       5.989   2.806   0.868  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.549  -2.387  -1.330  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.770  -2.175  -0.501  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.654  -0.795  -0.355  1.00  0.00           N  
HETATM   26  S   UNL     1      -2.557   0.509   0.122  1.00  0.00           S  
HETATM   27  H   UNL     1       4.649   0.815   1.762  1.00  0.00           H  
HETATM   28  H   UNL     1       6.294   0.247   1.389  1.00  0.00           H  
HETATM   29  H   UNL     1       5.357  -1.728   0.229  1.00  0.00           H  
HETATM   30  H   UNL     1       4.778  -1.653   1.910  1.00  0.00           H  
HETATM   31  H   UNL     1       1.497  -2.567  -1.917  1.00  0.00           H  
HETATM   32  H   UNL     1       0.787  -2.241   2.276  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.635  -2.098   1.859  1.00  0.00           H  
HETATM   34  H   UNL     1       2.943  -2.965   1.434  1.00  0.00           H  
HETATM   35  H   UNL     1       3.240  -3.104  -0.316  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.946   4.149   0.664  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.756   2.566   0.138  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.254   0.226  -0.355  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.612   3.386   0.690  1.00  0.00           H  
HETATM   40  H   UNL     1       3.883  -1.108  -1.577  1.00  0.00           H  
HETATM   41  H   UNL     1       2.222  -0.576  -1.222  1.00  0.00           H  
HETATM   42  H   UNL     1       3.680   1.347  -1.815  1.00  0.00           H  
HETATM   43  H   UNL     1       3.100   1.467  -0.136  1.00  0.00           H  
HETATM   44  H   UNL     1       5.823   0.410  -1.028  1.00  0.00           H  
HETATM   45  H   UNL     1       5.955   4.074  -1.161  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.923  -2.424  -2.343  1.00  0.00           H  
CONECT    1    2   19   27   28                                       
CONECT    2   16    1   29   30                                       
CONECT    3    4    4   23   31                                       
CONECT    4    5    8    3    3                                       
CONECT    5    6    6    4   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6   24   23   23                                       
CONECT    8    4   16   34   35                                       
CONECT    9   10   10   12   36                                       
CONECT   10   11    9    9   37                                       
CONECT   11   14   14   10   38                                       
CONECT   12   13   13    9   39                                       
CONECT   13   26   14   12   12                                       
CONECT   14   25   11   11   13                                       
CONECT   15   24   25   25   26                                       
CONECT   16    8    2   17                                            
CONECT   17   16   18   40   41                                       
CONECT   18   17   19   42   43                                       
CONECT   19    1   18   20   44                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   45                                                 
CONECT   22   20   20                                                 
CONECT   23    7    7    3   46                                       
CONECT   24    7   15                                                 
CONECT   25   15   15   14                                            
CONECT   26   15   13                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
