COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.325  -0.281   1.611  1.00  0.00           C  
HETATM    2  C   UNL     1       1.680   0.941   0.935  1.00  0.00           C  
HETATM    3  O   UNL     1       2.100   0.994  -0.413  1.00  0.00           O  
HETATM    4  C   UNL     1       3.417   1.258  -0.556  1.00  0.00           C  
HETATM    5  C   UNL     1       3.770   1.930  -1.731  1.00  0.00           C  
HETATM    6  C   UNL     1       5.083   2.233  -2.011  1.00  0.00           C  
HETATM    7  C   UNL     1       6.085   1.870  -1.123  1.00  0.00           C  
HETATM    8  O   UNL     1       7.385   2.156  -1.400  1.00  0.00           O  
HETATM    9  C   UNL     1       5.749   1.215   0.048  1.00  0.00           C  
HETATM   10  C   UNL     1       4.419   0.920   0.340  1.00  0.00           C  
HETATM   11  S   UNL     1       4.071   0.140   1.886  1.00  0.00           S  
HETATM   12  C   UNL     1       2.219  -1.484   0.708  1.00  0.00           C  
HETATM   13  C   UNL     1       3.077  -1.616  -0.368  1.00  0.00           C  
HETATM   14  C   UNL     1       2.982  -2.718  -1.196  1.00  0.00           C  
HETATM   15  C   UNL     1       2.025  -3.691  -0.948  1.00  0.00           C  
HETATM   16  O   UNL     1       1.930  -4.775  -1.761  1.00  0.00           O  
HETATM   17  C   UNL     1       1.166  -3.555   0.133  1.00  0.00           C  
HETATM   18  C   UNL     1       1.268  -2.455   0.962  1.00  0.00           C  
HETATM   19  C   UNL     1       0.179   0.817   0.992  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.535   1.514   1.950  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.910   1.402   2.004  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.576   0.589   1.098  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.856  -0.113   0.142  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.481   0.007   0.087  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.929   0.477   1.149  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.310  -0.417   0.102  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.830  -0.588   0.105  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.290  -1.042   1.492  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.467   0.693  -0.228  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.073   1.017  -1.611  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.357   1.007  -2.467  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.477   1.239  -1.419  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.927   0.462  -0.196  1.00  0.00           C  
HETATM   34  H   UNL     1       1.835  -0.485   2.563  1.00  0.00           H  
HETATM   35  H   UNL     1       1.991   1.850   1.450  1.00  0.00           H  
HETATM   36  H   UNL     1       2.999   2.216  -2.431  1.00  0.00           H  
HETATM   37  H   UNL     1       5.334   2.754  -2.924  1.00  0.00           H  
HETATM   38  H   UNL     1       7.566   3.029  -1.026  1.00  0.00           H  
HETATM   39  H   UNL     1       6.525   0.929   0.743  1.00  0.00           H  
HETATM   40  H   UNL     1       3.822  -0.858  -0.561  1.00  0.00           H  
HETATM   41  H   UNL     1       3.652  -2.821  -2.037  1.00  0.00           H  
HETATM   42  H   UNL     1       2.512  -5.453  -1.393  1.00  0.00           H  
HETATM   43  H   UNL     1       0.420  -4.312   0.328  1.00  0.00           H  
HETATM   44  H   UNL     1       0.600  -2.349   1.803  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.016   2.146   2.655  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.468   1.946   2.752  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.372  -0.746  -0.565  1.00  0.00           H  
HETATM   48  H   UNL     1       0.079  -0.536  -0.660  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.835  -1.386   0.261  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.992  -0.010  -0.858  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.113  -1.337  -0.635  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.055  -0.269   2.223  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.366  -1.215   1.479  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.777  -1.965   1.761  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.612   2.004  -1.644  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.374   0.267  -1.982  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.339   1.816  -3.197  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.484   0.044  -2.960  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.585   2.300  -1.191  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.422   0.816  -1.758  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.146  -0.601  -0.293  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.354   0.856   0.726  1.00  0.00           H  
CONECT    1    2   11   12   34                                       
CONECT    2    1    3   19   35                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   38                                                 
CONECT    9    7   10   10   39                                       
CONECT   10    4    9    9   11                                       
CONECT   11    1   10                                                 
CONECT   12    1   13   13   18                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   15   15   41                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   42                                                 
CONECT   17   15   18   18   43                                       
CONECT   18   12   17   17   44                                       
CONECT   19    2   20   20   24                                       
CONECT   20   19   19   21   45                                       
CONECT   21   20   22   22   46                                       
CONECT   22   21   21   23   25                                       
CONECT   23   22   24   24   47                                       
CONECT   24   19   23   23   48                                       
CONECT   25   22   26                                                 
CONECT   26   25   27   49   50                                       
CONECT   27   26   28   29   51                                       
CONECT   28   27   52   53   54                                       
CONECT   29   27   30   33                                            
CONECT   30   29   31   55   56                                       
CONECT   31   30   32   57   58                                       
CONECT   32   31   33   59   60                                       
CONECT   33   29   32   61   62                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
