COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.606   0.184   0.015  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.250   0.088   0.007  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.644  -1.160  -0.046  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.270  -1.262  -0.054  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.486  -0.107  -0.008  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.012  -0.212  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.165   0.834   0.030  1.00  0.00           C  
HETATM    8  C   UNL     1       0.179   0.497   0.016  1.00  0.00           C  
HETATM    9  C   UNL     1       1.263   1.507   0.061  1.00  0.00           C  
HETATM   10  C   UNL     1       1.313   2.522  -0.894  1.00  0.00           C  
HETATM   11  C   UNL     1       2.322   3.461  -0.849  1.00  0.00           C  
HETATM   12  C   UNL     1       3.289   3.395   0.146  1.00  0.00           C  
HETATM   13  O   UNL     1       4.283   4.322   0.187  1.00  0.00           O  
HETATM   14  C   UNL     1       3.243   2.386   1.098  1.00  0.00           C  
HETATM   15  C   UNL     1       2.232   1.448   1.062  1.00  0.00           C  
HETATM   16  C   UNL     1       0.419  -0.852  -0.042  1.00  0.00           C  
HETATM   17  C   UNL     1       1.754  -1.480  -0.068  1.00  0.00           C  
HETATM   18  C   UNL     1       2.041  -2.551   0.782  1.00  0.00           C  
HETATM   19  C   UNL     1       3.290  -3.134   0.755  1.00  0.00           C  
HETATM   20  C   UNL     1       4.262  -2.658  -0.115  1.00  0.00           C  
HETATM   21  O   UNL     1       5.492  -3.237  -0.138  1.00  0.00           O  
HETATM   22  C   UNL     1       3.981  -1.594  -0.961  1.00  0.00           C  
HETATM   23  C   UNL     1       2.734  -1.008  -0.945  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.110  -1.719  -0.082  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.099   1.146   0.045  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.474   1.239   0.048  1.00  0.00           C  
HETATM   27  H   UNL     1      -7.996   0.175   0.900  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.251  -2.053  -0.082  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.799  -2.233  -0.095  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.508   1.857   0.073  1.00  0.00           H  
HETATM   31  H   UNL     1       0.561   2.574  -1.668  1.00  0.00           H  
HETATM   32  H   UNL     1       2.362   4.247  -1.588  1.00  0.00           H  
HETATM   33  H   UNL     1       4.071   5.102   0.718  1.00  0.00           H  
HETATM   34  H   UNL     1       3.993   2.341   1.873  1.00  0.00           H  
HETATM   35  H   UNL     1       2.197   0.663   1.804  1.00  0.00           H  
HETATM   36  H   UNL     1       1.286  -2.922   1.460  1.00  0.00           H  
HETATM   37  H   UNL     1       3.512  -3.963   1.411  1.00  0.00           H  
HETATM   38  H   UNL     1       5.570  -3.969  -0.765  1.00  0.00           H  
HETATM   39  H   UNL     1       4.741  -1.227  -1.636  1.00  0.00           H  
HETATM   40  H   UNL     1       2.516  -0.183  -1.607  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.496   2.042   0.077  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.949   2.208   0.089  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2   26    1    3    3                                       
CONECT    3    2    2    4   28                                       
CONECT    4    5    5    3   29                                       
CONECT    5   25    6    4    4                                       
CONECT    6    7    7   24    5                                       
CONECT    7    8    6    6   30                                       
CONECT    8    9    7   16   16                                       
CONECT    9   15    8   10   10                                       
CONECT   10    9    9   11   31                                       
CONECT   11   12   12   10   32                                       
CONECT   12   14   13   11   11                                       
CONECT   13   12   33                                                 
CONECT   14   15   15   12   34                                       
CONECT   15   14   14    9   35                                       
CONECT   16    8    8   17   24                                       
CONECT   17   18   16   23   23                                       
CONECT   18   19   19   17   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   38                                                 
CONECT   22   20   20   23   39                                       
CONECT   23   17   17   22   40                                       
CONECT   24   16    6                                                 
CONECT   25   26   26    5   41                                       
CONECT   26   25   25    2   42                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
