COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.306   0.726   0.538  1.00  0.00           C  
HETATM    2  C   UNL     1       4.806   0.333   0.187  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.529   3.343  -1.255  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.464  -2.620  -0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.674  -3.230   1.107  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.151   1.030   0.299  1.00  0.00           C  
HETATM    7  C   UNL     1       0.948   0.176   0.361  1.00  0.00           C  
HETATM    8  C   UNL     1       0.756  -1.204   0.254  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.511  -1.705   0.089  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.622  -0.851   0.026  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.438   0.521   0.131  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.957  -1.253  -0.141  1.00  0.00           N  
HETATM   13  S   UNL     1      -3.842   0.159  -0.146  1.00  0.00           S  
HETATM   14  N   UNL     1      -2.625   1.279   0.053  1.00  0.00           N  
HETATM   15  C   UNL     1       3.467   0.000   0.005  1.00  0.00           C  
HETATM   16  O   UNL     1       2.464   1.782   1.121  1.00  0.00           O  
HETATM   17  N   UNL     1       5.537  -0.588  -0.470  1.00  0.00           N  
HETATM   18  N   UNL     1       4.665  -1.506  -1.064  1.00  0.00           N  
HETATM   19  C   UNL     1       3.437  -1.170  -0.790  1.00  0.00           C  
HETATM   20  O   UNL     1       5.284   1.387   0.889  1.00  0.00           O  
HETATM   21  C   UNL     1       7.000  -0.623  -0.549  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.758   2.736   0.130  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.630   0.172   1.037  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.370   0.326  -1.455  1.00  0.00           O  
HETATM   25  H   UNL     1      -3.268   2.947  -1.952  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.628   4.427  -1.198  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.528   3.088  -1.603  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.742  -3.220  -0.835  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.412  -2.603  -0.817  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.051  -4.247   1.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.726  -3.247   1.645  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.396  -2.630   1.662  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.005   2.097   0.385  1.00  0.00           H  
HETATM   34  H   UNL     1       1.602  -1.874   0.301  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.654  -2.772   0.007  1.00  0.00           H  
HETATM   36  H   UNL     1       2.549  -1.693  -1.114  1.00  0.00           H  
HETATM   37  H   UNL     1       7.331  -0.053  -1.417  1.00  0.00           H  
HETATM   38  H   UNL     1       7.422  -0.185   0.356  1.00  0.00           H  
HETATM   39  H   UNL     1       7.334  -1.656  -0.642  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.019   3.132   0.827  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.759   2.991   0.479  1.00  0.00           H  
HETATM   42  H   UNL     1       5.447   1.196   1.823  1.00  0.00           H  
CONECT    1   15    7   16   16                                       
CONECT    2   17   20   15   15                                       
CONECT    3   22   25   26   27                                       
CONECT    4   12    5   28   29                                       
CONECT    5    4   30   31   32                                       
CONECT    6    7    7   11   33                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9    9   34                                       
CONECT    9    8    8   10   35                                       
CONECT   10   11   11   12    9                                       
CONECT   11    6   14   10   10                                       
CONECT   12   13   10    4                                            
CONECT   13   24   24   14   12                                       
CONECT   13   23   23                                                 
CONECT   14   22   11   13                                            
CONECT   15    2    2   19    1                                       
CONECT   16    1    1                                                 
CONECT   17   21   18    2                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   15   36                                       
CONECT   20    2   42                                                 
CONECT   21   17   37   38   39                                       
CONECT   22    3   14   40   41                                       
CONECT   23   13   13                                                 
CONECT   24   13   13                                                 
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
