COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.027   0.291  -0.112  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.469  -1.260   0.390  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.597  -0.969   0.536  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.011  -0.605   0.719  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.399   0.465  -0.304  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.869   0.843  -0.114  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.257   1.913  -1.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.092  -1.614   0.213  1.00  0.00           C  
HETATM    9  C   UNL     1       6.026  -1.043  -0.013  1.00  0.00           C  
HETATM   10  C   UNL     1       0.118  -0.964   0.189  1.00  0.00           C  
HETATM   11  C   UNL     1       0.490  -2.285  -0.123  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.526  -3.250  -0.261  1.00  0.00           C  
HETATM   13  C   UNL     1       4.780  -1.627   0.031  1.00  0.00           C  
HETATM   14  C   UNL     1       2.318  -1.109  -0.006  1.00  0.00           C  
HETATM   15  C   UNL     1       3.743  -0.747  -0.034  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.786  -2.874  -0.086  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.167  -0.674   0.346  1.00  0.00           N  
HETATM   18  S   UNL     1       4.374   0.890  -0.148  1.00  0.00           S  
HETATM   19  C   UNL     1       0.990   2.030  -0.671  1.00  0.00           C  
HETATM   20  C   UNL     1       0.319   2.994   1.463  1.00  0.00           C  
HETATM   21  C   UNL     1       0.258   3.246  -0.060  1.00  0.00           C  
HETATM   22  C   UNL     1       1.407   1.188   0.555  1.00  0.00           C  
HETATM   23  N   UNL     1       1.286  -0.242   0.257  1.00  0.00           N  
HETATM   24  N   UNL     1       1.837  -2.312  -0.229  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.217  -4.564  -0.567  1.00  0.00           N  
HETATM   26  O   UNL     1       2.142   2.454  -1.401  1.00  0.00           O  
HETATM   27  O   UNL     1       0.478   1.565   1.595  1.00  0.00           O  
HETATM   28  O   UNL     1       0.936   4.458  -0.395  1.00  0.00           O  
HETATM   29  H   UNL     1       6.911   0.909  -0.158  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.635  -1.488   0.575  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.159  -0.216   1.726  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.775   1.347  -0.161  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.251   0.075  -1.311  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.493  -0.039  -0.258  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.017   1.232   0.893  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.633   2.795  -0.993  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.109   1.524  -2.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.304   2.183  -1.002  1.00  0.00           H  
HETATM   39  H   UNL     1       6.938  -1.621   0.029  1.00  0.00           H  
HETATM   40  H   UNL     1       4.638  -2.695   0.110  1.00  0.00           H  
HETATM   41  H   UNL     1       0.319   1.461  -1.315  1.00  0.00           H  
HETATM   42  H   UNL     1       1.173   3.513   1.899  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.607   3.319   1.938  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.777   3.279  -0.401  1.00  0.00           H  
HETATM   45  H   UNL     1       2.428   1.428   0.851  1.00  0.00           H  
HETATM   46  H   UNL     1       0.708  -4.829  -0.688  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.925  -5.220  -0.659  1.00  0.00           H  
HETATM   48  H   UNL     1       1.939   2.987  -2.182  1.00  0.00           H  
HETATM   49  H   UNL     1       0.554   5.248   0.012  1.00  0.00           H  
CONECT    1   18    9    9   29                                       
CONECT    2    3    3    3    8                                       
CONECT    3    4    2    2    2                                       
CONECT    4    5    3   30   31                                       
CONECT    5    6    4   32   33                                       
CONECT    6    7    5   34   35                                       
CONECT    7    6   36   37   38                                       
CONECT    8    2   17   17   16                                       
CONECT    9    1    1   13   39                                       
CONECT   10   17   23   11   11                                       
CONECT   11   10   10   12   24                                       
CONECT   12   16   16   11   25                                       
CONECT   13   15   15    9   40                                       
CONECT   14   23   24   24   15                                       
CONECT   15   14   18   13   13                                       
CONECT   16    8   12   12                                            
CONECT   17    8    8   10                                            
CONECT   18   15    1                                                 
CONECT   19   21   26   22   41                                       
CONECT   20   21   27   42   43                                       
CONECT   21   28   20   19   44                                       
CONECT   22   27   19   23   45                                       
CONECT   23   10   22   14                                            
CONECT   24   11   14   14                                            
CONECT   25   12   46   47                                            
CONECT   26   19   48                                                 
CONECT   27   20   22                                                 
CONECT   28   21   49                                                 
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
