COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.623  -3.196  -1.258  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.642   0.617  -0.301  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.987   0.555  -1.028  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.133   1.653  -1.265  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.895   0.481  -0.700  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.776   0.508   0.327  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.180  -1.222   1.482  1.00  0.00           C  
HETATM    8  C   UNL     1       2.921  -1.754  -1.718  1.00  0.00           C  
HETATM    9  C   UNL     1       3.213  -1.776  -0.216  1.00  0.00           C  
HETATM   10  C   UNL     1       4.459  -0.977   0.065  1.00  0.00           C  
HETATM   11  C   UNL     1       4.531   0.349   0.347  1.00  0.00           C  
HETATM   12  C   UNL     1       6.636  -0.389   0.391  1.00  0.00           C  
HETATM   13  C   UNL     1       8.137  -0.408   0.527  1.00  0.00           C  
HETATM   14  C   UNL     1       5.837  -1.478   0.094  1.00  0.00           C  
HETATM   15  C   UNL     1       6.279  -2.854  -0.146  1.00  0.00           C  
HETATM   16  C   UNL     1       6.305  -3.846   0.988  1.00  0.00           C  
HETATM   17  C   UNL     1       3.379   1.274   0.433  1.00  0.00           C  
HETATM   18  C   UNL     1       3.416   2.404   1.163  1.00  0.00           C  
HETATM   19  C   UNL     1       1.295   1.932  -0.061  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.311  -1.938   0.790  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.120   2.971  -0.989  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.775   3.034  -0.262  1.00  0.00           C  
HETATM   23  N   UNL     1       5.846   0.691   0.539  1.00  0.00           N  
HETATM   24  N   UNL     1       2.234   1.050  -0.212  1.00  0.00           N  
HETATM   25  N   UNL     1       0.041   1.872  -0.645  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.802   1.716  -0.645  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.210  -0.764   0.485  1.00  0.00           N  
HETATM   28  N   UNL     1      -9.327  -2.450   1.513  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.624  -1.501  -0.392  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.837  -0.788  -1.118  1.00  0.00           N  
HETATM   31  O   UNL     1      -8.308  -2.054  -0.417  1.00  0.00           O  
HETATM   32  S   UNL     1       1.861   3.216   1.003  1.00  0.00           S  
HETATM   33  H   UNL     1      -0.808   0.577   0.776  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.024  -0.228  -0.605  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.819   0.567  -2.105  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.507  -0.362  -0.752  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.026   1.531  -2.343  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.675   2.574  -1.055  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.073   1.371   0.904  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.573  -0.365   2.028  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.691  -1.903   2.178  1.00  0.00           H  
HETATM   42  H   UNL     1       3.761  -2.190  -2.258  1.00  0.00           H  
HETATM   43  H   UNL     1       2.019  -2.332  -1.921  1.00  0.00           H  
HETATM   44  H   UNL     1       2.774  -0.725  -2.045  1.00  0.00           H  
HETATM   45  H   UNL     1       2.372  -1.339   0.324  1.00  0.00           H  
HETATM   46  H   UNL     1       3.359  -2.805   0.111  1.00  0.00           H  
HETATM   47  H   UNL     1       8.405  -0.541   1.575  1.00  0.00           H  
HETATM   48  H   UNL     1       8.545  -1.230  -0.060  1.00  0.00           H  
HETATM   49  H   UNL     1       8.546   0.535   0.165  1.00  0.00           H  
HETATM   50  H   UNL     1       6.742  -4.783   0.642  1.00  0.00           H  
HETATM   51  H   UNL     1       6.905  -3.446   1.806  1.00  0.00           H  
HETATM   52  H   UNL     1       5.288  -4.026   1.337  1.00  0.00           H  
HETATM   53  H   UNL     1       4.254   2.752   1.748  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.738   3.816  -0.684  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.954   3.011  -2.066  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.254   3.951  -0.539  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.942   3.021   0.815  1.00  0.00           H  
HETATM   58  H   UNL     1       6.161   1.583   0.751  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.330  -2.357   2.478  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.056  -2.911   1.067  1.00  0.00           H  
CONECT    1   15   15                                                 
CONECT    2   25    3   33   34                                       
CONECT    3   26    2   35   36                                       
CONECT    4   26    5   37   38                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5   27   39                                       
CONECT    7   27   20   40   41                                       
CONECT    8    9   42   43   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10   14    9   11   11                                       
CONECT   11   10   10   23   17                                       
CONECT   12   14   14   13   23                                       
CONECT   13   12   47   48   49                                       
CONECT   14   15   12   12   10                                       
CONECT   15    1    1   16   14                                       
CONECT   16   15   50   51   52                                       
CONECT   17   11   24   18   18                                       
CONECT   18   17   17   32   53                                       
CONECT   19   24   24   25   32                                       
CONECT   20   28    7   31   31                                       
CONECT   21   22   26   54   55                                       
CONECT   22   21   25   56   57                                       
CONECT   23   12   11   58                                            
CONECT   24   17   19   19                                            
CONECT   25   22   19    2                                            
CONECT   26   21    4    3                                            
CONECT   27    6    7   29                                            
CONECT   28   20   59   60                                            
CONECT   29   27   30   30                                            
CONECT   30    5   29   29                                            
CONECT   31   20   20                                                 
CONECT   32   19   18                                                 
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
