COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.804  -3.563  -0.035  1.00  0.00           C  
HETATM    2  C   UNL     1       4.521  -3.113  -0.034  1.00  0.00           C  
HETATM    3  C   UNL     1       4.262  -1.732  -0.012  1.00  0.00           C  
HETATM    4  C   UNL     1       5.345  -0.816   0.008  1.00  0.00           C  
HETATM    5  C   UNL     1       6.659  -1.305   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       6.879  -2.666  -0.014  1.00  0.00           C  
HETATM    7  N   UNL     1       8.185  -3.155  -0.015  1.00  0.00           N  
HETATM    8  C   UNL     1       5.088   0.570   0.029  1.00  0.00           C  
HETATM    9  C   UNL     1       3.813   1.028   0.029  1.00  0.00           C  
HETATM   10  C   UNL     1       2.724   0.135   0.009  1.00  0.00           C  
HETATM   11  C   UNL     1       2.942  -1.243  -0.012  1.00  0.00           C  
HETATM   12  O   UNL     1       1.894  -2.102  -0.031  1.00  0.00           O  
HETATM   13  N   UNL     1       1.451   0.619   0.010  1.00  0.00           N  
HETATM   14  N   UNL     1       0.451  -0.196  -0.009  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.826   0.290  -0.008  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.045   1.680   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.305   2.185   0.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.411   1.318  -0.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.205  -0.084  -0.027  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.898  -0.590  -0.034  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.317  -0.947  -0.046  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.576  -0.431  -0.044  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.789   0.945  -0.022  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.728   1.822  -0.003  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.948   3.162   0.019  1.00  0.00           O  
HETATM   26  S   UNL     1      -6.960  -1.522  -0.068  1.00  0.00           S  
HETATM   27  O   UNL     1      -7.321  -1.825   1.379  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.046  -0.780  -0.605  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.499  -2.743  -0.630  1.00  0.00           O  
HETATM   30  S   UNL     1       3.513   2.765   0.055  1.00  0.00           S  
HETATM   31  O   UNL     1       3.588   3.164   1.417  1.00  0.00           O  
HETATM   32  O   UNL     1       4.681   3.434  -0.654  1.00  0.00           O  
HETATM   33  O   UNL     1       2.369   2.987  -0.758  1.00  0.00           O  
HETATM   34  H   UNL     1       5.996  -4.626  -0.047  1.00  0.00           H  
HETATM   35  H   UNL     1       3.702  -3.816  -0.050  1.00  0.00           H  
HETATM   36  H   UNL     1       7.494  -0.620   0.023  1.00  0.00           H  
HETATM   37  H   UNL     1       8.345  -4.111  -0.030  1.00  0.00           H  
HETATM   38  H   UNL     1       8.934  -2.538  -0.002  1.00  0.00           H  
HETATM   39  H   UNL     1       5.911   1.269   0.045  1.00  0.00           H  
HETATM   40  H   UNL     1       1.585  -2.365   0.846  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.200   2.353   0.029  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.457   3.254   0.032  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.726  -1.656  -0.055  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.171  -2.017  -0.063  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.798   1.329  -0.022  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.007   3.564  -0.858  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.075  -2.421   1.480  1.00  0.00           H  
HETATM   48  H   UNL     1       4.615   4.398  -0.696  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   36                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   37   38                                            
CONECT    8    4    9    9   39                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   13                                       
CONECT   11    3   10   10   12                                       
CONECT   12   11   40                                                 
CONECT   13   10   14   14                                            
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   19   24                                       
CONECT   19   18   20   20   21                                       
CONECT   20   15   19   19   43                                       
CONECT   21   19   22   22   44                                       
CONECT   22   21   21   23   26                                       
CONECT   23   22   24   24   45                                       
CONECT   24   18   23   23   25                                       
CONECT   25   24   46                                                 
CONECT   26   22   27   28   28                                       
CONECT   26   29   29                                                 
CONECT   27   26   47                                                 
CONECT   28   26   26                                                 
CONECT   29   26   26                                                 
CONECT   30    9   31   31   32                                       
CONECT   30   33   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   48                                                 
CONECT   33   30   30                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   32                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
