COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.975  -1.676   0.005  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.111   0.761   0.250  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.567   2.801   0.343  1.00  0.00           C  
HETATM    4  C   UNL     1       1.175   2.333   0.197  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.131  -1.408   1.046  1.00  0.00           C  
HETATM    6  C   UNL     1       7.586  -0.660  -0.094  1.00  0.00           C  
HETATM    7  N   UNL     1       6.379  -1.490  -0.072  1.00  0.00           N  
HETATM    8  C   UNL     1       5.121  -0.888  -0.015  1.00  0.00           C  
HETATM    9  C   UNL     1       5.014   0.497   0.021  1.00  0.00           C  
HETATM   10  C   UNL     1       3.772   1.093   0.078  1.00  0.00           C  
HETATM   11  C   UNL     1       2.623   0.305   0.098  1.00  0.00           C  
HETATM   12  C   UNL     1       2.731  -1.085   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1       1.285   0.943   0.160  1.00  0.00           C  
HETATM   14  C   UNL     1       0.137   0.157   0.187  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.211   2.146   0.281  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.070   2.926   0.254  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.266  -0.024   0.276  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.911  -0.642   1.442  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.821  -2.000   1.849  1.00  0.00           O  
HETATM   20  N   UNL     1      -4.408  -1.385  -0.266  1.00  0.00           N  
HETATM   21  S   UNL     1      -3.230  -0.474  -1.009  1.00  0.00           S  
HETATM   22  O   UNL     1      -3.857   0.704  -1.496  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.464  -1.357  -1.818  1.00  0.00           O  
HETATM   24  H   UNL     1       4.060  -2.752  -0.027  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.856   2.938   1.385  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.526   3.770  -0.153  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.300   2.167  -0.156  1.00  0.00           H  
HETATM   28  H   UNL     1       2.064   2.945   0.176  1.00  0.00           H  
HETATM   29  H   UNL     1       7.626  -0.052   0.810  1.00  0.00           H  
HETATM   30  H   UNL     1       8.467  -1.301  -0.139  1.00  0.00           H  
HETATM   31  H   UNL     1       7.565  -0.010  -0.969  1.00  0.00           H  
HETATM   32  H   UNL     1       6.454  -2.456  -0.098  1.00  0.00           H  
HETATM   33  H   UNL     1       5.905   1.107   0.005  1.00  0.00           H  
HETATM   34  H   UNL     1       3.690   2.169   0.106  1.00  0.00           H  
HETATM   35  H   UNL     1       1.842  -1.697   0.078  1.00  0.00           H  
HETATM   36  H   UNL     1       0.216  -0.920   0.159  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.153   4.003   0.282  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.193   0.138   2.149  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.205  -1.319   1.923  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.157  -1.821  -0.702  1.00  0.00           H  
CONECT    1   12   12    8   24                                       
CONECT    2   15   15   14   17                                       
CONECT    3   15   25   26   27                                       
CONECT    4   16   16   13   28                                       
CONECT    5   18   19   19   20                                       
CONECT    6    7   29   30   31                                       
CONECT    7    8    6   32                                            
CONECT    8    1    7    9    9                                       
CONECT    9    8    8   10   33                                       
CONECT   10   11   11    9   34                                       
CONECT   11   12   13   10   10                                       
CONECT   12    1    1   11   35                                       
CONECT   13    4   11   14   14                                       
CONECT   14   13   13    2   36                                       
CONECT   15   16    3    2    2                                       
CONECT   16    4    4   15   37                                       
CONECT   17    2   18   21                                            
CONECT   18   17    5   38   39                                       
CONECT   19    5    5                                                 
CONECT   20    5   21   40                                            
CONECT   21   17   22   22   20                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
