COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.004   0.983   0.885  1.00  0.00           C  
HETATM    2  C   UNL     1       0.498  -3.288  -0.264  1.00  0.00           C  
HETATM    3  C   UNL     1       2.405  -2.125  -1.362  1.00  0.00           C  
HETATM    4  C   UNL     1       3.277  -0.081  -0.463  1.00  0.00           C  
HETATM    5  C   UNL     1       5.701   2.701  -1.517  1.00  0.00           C  
HETATM    6  C   UNL     1       6.017   2.466  -0.022  1.00  0.00           C  
HETATM    7  C   UNL     1       5.196   1.256   0.360  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.324   1.870   0.071  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.304   2.189  -1.237  1.00  0.00           C  
HETATM   10  N   UNL     1       0.531  -4.263  -1.194  1.00  0.00           N  
HETATM   11  O   UNL     1      -5.200   2.065  -1.449  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.985   1.306  -0.420  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.334   0.699   0.637  1.00  0.00           C  
HETATM   14  C   UNL     1       1.425  -1.155   0.635  1.00  0.00           C  
HETATM   15  C   UNL     1       1.458  -2.173  -0.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.425  -5.372  -1.125  1.00  0.00           C  
HETATM   17  C   UNL     1       3.298  -1.097  -1.425  1.00  0.00           C  
HETATM   18  C   UNL     1       4.252   1.026  -0.537  1.00  0.00           C  
HETATM   19  C   UNL     1       4.306   2.048  -1.648  1.00  0.00           C  
HETATM   20  C   UNL     1       2.340  -0.115   0.568  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.974   2.473  -0.990  1.00  0.00           C  
HETATM   22  N   UNL     1       0.488  -1.196   1.660  1.00  0.00           N  
HETATM   23  O   UNL     1       0.915   1.057   2.572  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.324  -3.328   0.631  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.181  -0.170   3.160  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.231   0.510   0.507  1.00  0.00           O  
HETATM   27  S   UNL     1      -0.174   0.210   2.233  1.00  0.00           S  
HETATM   28  S   UNL     1      -4.685   0.955  -0.726  1.00  0.00           S  
HETATM   29  H   UNL     1       2.431  -2.908  -2.106  1.00  0.00           H  
HETATM   30  H   UNL     1       5.657   3.766  -1.744  1.00  0.00           H  
HETATM   31  H   UNL     1       6.429   2.198  -2.154  1.00  0.00           H  
HETATM   32  H   UNL     1       7.079   2.262   0.114  1.00  0.00           H  
HETATM   33  H   UNL     1       5.717   3.330   0.569  1.00  0.00           H  
HETATM   34  H   UNL     1       5.358   0.660   1.247  1.00  0.00           H  
HETATM   35  H   UNL     1       0.715   2.092   0.265  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.812   2.663  -2.063  1.00  0.00           H  
HETATM   37  H   UNL     1       1.186  -4.231  -1.908  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.864   0.003   1.270  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.298  -5.903  -0.182  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.440  -4.981  -1.189  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.246  -6.057  -1.954  1.00  0.00           H  
HETATM   42  H   UNL     1       4.027  -1.066  -2.222  1.00  0.00           H  
HETATM   43  H   UNL     1       3.524   2.795  -1.515  1.00  0.00           H  
HETATM   44  H   UNL     1       4.205   1.561  -2.618  1.00  0.00           H  
HETATM   45  H   UNL     1       2.323   0.669   1.311  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.441   3.162  -1.628  1.00  0.00           H  
HETATM   47  H   UNL     1       0.221  -2.048   2.039  1.00  0.00           H  
HETATM   48  O   UNL     1      -4.735  -0.235  -1.673  1.00  0.00           O  
HETATM   49  H   UNL     1      -5.631  -0.513  -1.909  1.00  0.00           H  
CONECT    1    8    8   13   27                                       
CONECT    2   10   15   24   24                                       
CONECT    3   17   17   15   29                                       
CONECT    4   17   18   20   20                                       
CONECT    5   19    6   30   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7   18   18    6   34                                       
CONECT    8   21    1    1   35                                       
CONECT    9   21   21   12   36                                       
CONECT   10   16    2   37                                            
CONECT   11   28   28                                                 
CONECT   12    9   28   13   13                                       
CONECT   13   12   12    1   38                                       
CONECT   14   15   15   20   22                                       
CONECT   15    3    2   14   14                                       
CONECT   16   10   39   40   41                                       
CONECT   17    3    3    4   42                                       
CONECT   18   19    4    7    7                                       
CONECT   19    5   18   43   44                                       
CONECT   20    4    4   14   45                                       
CONECT   21    9    9    8   46                                       
CONECT   22   14   27   47                                            
CONECT   23   27   27                                                 
CONECT   24    2    2                                                 
CONECT   25   27   27                                                 
CONECT   26   28   28                                                 
CONECT   27    1   22   23   23                                       
CONECT   27   25   25                                                 
CONECT   28   26   26   12   11                                       
CONECT   28   11   48                                                 
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   28   49                                                 
CONECT   49   48                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
