COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.544  -1.258  -0.972  1.00  0.00           O  
HETATM    2  C   UNL     1       5.974  -0.233  -0.477  1.00  0.00           C  
HETATM    3  N   UNL     1       7.302  -0.010  -0.438  1.00  0.00           N  
HETATM    4  C   UNL     1       8.228  -1.002  -0.989  1.00  0.00           C  
HETATM    5  C   UNL     1       5.041   0.767   0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       5.530   1.946   0.641  1.00  0.00           C  
HETATM    7  C   UNL     1       4.654   2.877   1.153  1.00  0.00           C  
HETATM    8  C   UNL     1       3.287   2.652   1.108  1.00  0.00           C  
HETATM    9  C   UNL     1       3.656   0.545   0.023  1.00  0.00           C  
HETATM   10  C   UNL     1       2.788   1.494   0.550  1.00  0.00           C  
HETATM   11  S   UNL     1       3.021  -0.933  -0.698  1.00  0.00           S  
HETATM   12  C   UNL     1       1.293  -0.823  -0.370  1.00  0.00           C  
HETATM   13  C   UNL     1       0.437  -0.290  -1.336  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.903  -0.198  -1.098  1.00  0.00           C  
HETATM   15  C   UNL     1       0.794  -1.271   0.840  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.572  -1.184   1.096  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.356  -1.530   2.167  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.690  -1.216   1.886  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.781  -0.687   0.686  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.426  -0.640   0.119  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.015  -0.227   0.030  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.194  -0.329   0.668  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.429   0.131   0.011  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.372   0.648  -1.213  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.454   1.071  -1.834  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.696   0.993  -1.231  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.802   0.460   0.048  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.653   0.017   0.676  1.00  0.00           C  
HETATM   29  H   UNL     1       7.645   0.807  -0.043  1.00  0.00           H  
HETATM   30  H   UNL     1       8.104  -1.948  -0.462  1.00  0.00           H  
HETATM   31  H   UNL     1       8.017  -1.146  -2.049  1.00  0.00           H  
HETATM   32  H   UNL     1       9.253  -0.650  -0.868  1.00  0.00           H  
HETATM   33  H   UNL     1       6.595   2.127   0.679  1.00  0.00           H  
HETATM   34  H   UNL     1       5.034   3.788   1.593  1.00  0.00           H  
HETATM   35  H   UNL     1       2.608   3.389   1.512  1.00  0.00           H  
HETATM   36  H   UNL     1       1.721   1.326   0.520  1.00  0.00           H  
HETATM   37  H   UNL     1       0.839   0.052  -2.278  1.00  0.00           H  
HETATM   38  H   UNL     1       1.459  -1.686   1.582  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.558   0.216  -1.850  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.973   0.193  -0.964  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.235  -0.750   1.661  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.700  -0.406   1.668  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.370   1.485  -2.828  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.576   1.344  -1.749  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.761   0.390   0.538  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.036  -1.930   2.991  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   29                                            
CONECT    4    3   30   31   32                                       
CONECT    5    2    6    9    9                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7   10   10   35                                       
CONECT    9    5    5   10   11                                       
CONECT   10    8    8    9   36                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   15   15                                       
CONECT   13   12   14   14   37                                       
CONECT   14   13   13   20   39                                       
CONECT   15   12   12   16   38                                       
CONECT   16   15   17   20   20                                       
CONECT   17   16   18   46                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   21                                       
CONECT   20   14   16   16   19                                       
CONECT   21   19   22   22   40                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   26   43                                       
CONECT   26   25   25   27   44                                       
CONECT   27   26   28   28   45                                       
CONECT   28   23   27   27   42                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   14                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   28                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   17                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
