COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.873  -1.743   1.129  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.624  -3.084   1.063  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.504  -3.586  -0.391  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.234  -2.883  -0.931  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.321  -1.477  -0.287  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.992  -0.864  -0.214  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.867   0.520  -0.175  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.663   1.066  -0.114  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.008   1.316  -0.206  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.875   2.694  -0.167  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.602   3.236  -0.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.500   2.385  -0.081  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.135   2.953  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1       1.131   2.201   0.019  1.00  0.00           C  
HETATM   15  C   UNL     1       1.450   0.847  -0.012  1.00  0.00           C  
HETATM   16  C   UNL     1       0.194   4.268   0.043  1.00  0.00           C  
HETATM   17  N   UNL     1       1.549   4.404   0.103  1.00  0.00           N  
HETATM   18  C   UNL     1       2.152   3.165   0.091  1.00  0.00           C  
HETATM   19  C   UNL     1       3.483   2.755   0.134  1.00  0.00           C  
HETATM   20  C   UNL     1       3.794   1.426   0.107  1.00  0.00           C  
HETATM   21  C   UNL     1       2.785   0.458   0.028  1.00  0.00           C  
HETATM   22  C   UNL     1       3.138  -0.977  -0.001  1.00  0.00           C  
HETATM   23  S   UNL     1       4.770  -1.647   0.056  1.00  0.00           S  
HETATM   24  N   UNL     1       2.300  -1.972  -0.066  1.00  0.00           N  
HETATM   25  N   UNL     1       2.777  -3.140  -0.081  1.00  0.00           N  
HETATM   26  C   UNL     1       4.073  -3.266  -0.028  1.00  0.00           C  
HETATM   27  N   UNL     1       4.778  -4.459  -0.034  1.00  0.00           N  
HETATM   28  H   UNL     1      -5.557  -0.946   1.419  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.052  -1.810   1.843  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.168  -3.802   1.745  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.673  -2.938   1.323  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.379  -4.669  -0.411  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.380  -3.294  -0.969  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.336  -3.405  -0.602  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.265  -2.813  -2.019  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.003  -0.840  -0.850  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.200  -1.423  -0.193  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.987   0.863  -0.260  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.746   3.332  -0.190  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.466   4.307  -0.066  1.00  0.00           H  
HETATM   41  H   UNL     1       0.668   0.104  -0.067  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.512   5.086   0.035  1.00  0.00           H  
HETATM   43  H   UNL     1       2.020   5.250   0.148  1.00  0.00           H  
HETATM   44  H   UNL     1       4.271   3.491   0.194  1.00  0.00           H  
HETATM   45  H   UNL     1       4.829   1.119   0.140  1.00  0.00           H  
HETATM   46  H   UNL     1       4.302  -5.303  -0.082  1.00  0.00           H  
HETATM   47  H   UNL     1       5.747  -4.450   0.008  1.00  0.00           H  
CONECT    1    5    2   28   29                                       
CONECT    2    3    1   30   31                                       
CONECT    3    4    2   32   33                                       
CONECT    4    5    3   34   35                                       
CONECT    5    4    6    1   36                                       
CONECT    6    7    5   37                                            
CONECT    7    8    8    9    6                                       
CONECT    8   12    7    7                                            
CONECT    9   10   10    7   38                                       
CONECT   10   11    9    9   39                                       
CONECT   11   12   12   10   40                                       
CONECT   12   13   11   11    8                                       
CONECT   13   16   16   14   12                                       
CONECT   14   18   18   15   13                                       
CONECT   15   21   21   14   41                                       
CONECT   16   17   13   13   42                                       
CONECT   17   18   16   43                                            
CONECT   18   19   17   14   14                                       
CONECT   19   20   20   18   44                                       
CONECT   20   19   19   21   45                                       
CONECT   21   20   22   15   15                                       
CONECT   22   24   24   21   23                                       
CONECT   23   22   26                                                 
CONECT   24   25   22   22                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25   23   27                                       
CONECT   27   26   46   47                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
