COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.764   2.100  -0.493  1.00  0.00           C  
HETATM    2  C   UNL     1       4.640  -0.437   0.512  1.00  0.00           C  
HETATM    3  C   UNL     1       5.191  -1.556  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       3.229  -1.216  -0.993  1.00  0.00           C  
HETATM    5  C   UNL     1       6.546  -0.255   1.783  1.00  0.00           C  
HETATM    6  C   UNL     1       6.474  -1.981   0.252  1.00  0.00           C  
HETATM    7  C   UNL     1       1.374   2.686  -0.828  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.419   0.374  -1.475  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.524  -0.493  -0.929  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.526  -1.852  -1.185  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.536  -2.655  -0.687  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.550  -2.104   0.069  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.555  -0.733   0.332  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.528   0.071  -0.169  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.637  -0.136   1.140  1.00  0.00           C  
HETATM   16  C   UNL     1       0.382   1.679  -0.204  1.00  0.00           C  
HETATM   17  C   UNL     1       2.447   0.809   0.294  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.846   1.516  -1.101  1.00  0.00           C  
HETATM   19  N   UNL     1       4.279  -1.984  -1.040  1.00  0.00           N  
HETATM   20  N   UNL     1       5.348   0.179   1.453  1.00  0.00           N  
HETATM   21  N   UNL     1       7.103  -1.304   1.207  1.00  0.00           N  
HETATM   22  N   UNL     1       7.067  -3.077  -0.348  1.00  0.00           N  
HETATM   23  N   UNL     1       3.403  -0.246  -0.051  1.00  0.00           N  
HETATM   24  O   UNL     1      -8.623  -0.914   1.626  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.638   1.058   1.367  1.00  0.00           O  
HETATM   26  O   UNL     1       1.116   0.438  -0.125  1.00  0.00           O  
HETATM   27  O   UNL     1       1.219   3.977  -0.238  1.00  0.00           O  
HETATM   28  O   UNL     1       3.512   3.010   0.316  1.00  0.00           O  
HETATM   29  S   UNL     1      -2.058   0.447  -0.278  1.00  0.00           S  
HETATM   30  H   UNL     1       3.310   1.866  -1.407  1.00  0.00           H  
HETATM   31  H   UNL     1       2.350  -1.330  -1.609  1.00  0.00           H  
HETATM   32  H   UNL     1       7.093   0.266   2.556  1.00  0.00           H  
HETATM   33  H   UNL     1       1.233   2.741  -1.908  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.056  -0.048  -2.412  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.800   1.380  -1.654  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.734  -2.289  -1.776  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.532  -3.716  -0.891  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.339  -2.732   0.457  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.523   1.131   0.034  1.00  0.00           H  
HETATM   40  H   UNL     1       0.083   2.009   0.791  1.00  0.00           H  
HETATM   41  H   UNL     1       2.467   1.004   1.366  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.292   2.493  -1.289  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.548   1.065  -2.047  1.00  0.00           H  
HETATM   44  H   UNL     1       6.597  -3.563  -1.044  1.00  0.00           H  
HETATM   45  H   UNL     1       7.953  -3.361  -0.072  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.309  -0.479   2.150  1.00  0.00           H  
HETATM   47  H   UNL     1       1.858   4.633  -0.552  1.00  0.00           H  
HETATM   48  H   UNL     1       3.738   3.838  -0.129  1.00  0.00           H  
CONECT    1    7   17   28   30                                       
CONECT    2   23   20   20    3                                       
CONECT    3   19    2    6    6                                       
CONECT    4   23   19   19   31                                       
CONECT    5   20   21   21   32                                       
CONECT    6   21    3    3   22                                       
CONECT    7   16   27    1   33                                       
CONECT    8    9   29   34   35                                       
CONECT    9   10   14   14    8                                       
CONECT   10   11   11    9   36                                       
CONECT   11   12   10   10   37                                       
CONECT   12   13   13   11   38                                       
CONECT   13   15   12   12   14                                       
CONECT   14   13    9    9   39                                       
CONECT   15   25   25   24   13                                       
CONECT   16   18    7   26   40                                       
CONECT   17   26    1   23   41                                       
CONECT   18   29   16   42   43                                       
CONECT   19    4    4    3                                            
CONECT   20    2    2    5                                            
CONECT   21    5    5    6                                            
CONECT   22    6   44   45                                            
CONECT   23   17    4    2                                            
CONECT   24   15   46                                                 
CONECT   25   15   15                                                 
CONECT   26   16   17                                                 
CONECT   27    7   47                                                 
CONECT   28    1   48                                                 
CONECT   29    8   18                                                 
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
