COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.497  -4.856  -0.168  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.532  -3.721  -0.199  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.576  -2.250  -0.241  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.173  -1.691   0.003  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.217  -0.223  -0.038  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.006   0.312   1.080  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.939   0.312  -0.045  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.749   1.704  -0.082  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.895   3.035  -0.128  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.594   4.214  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.415   3.611  -0.127  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.448   2.208  -0.088  1.00  0.00           C  
HETATM   13  N   UNL     1       0.575   1.322  -0.056  1.00  0.00           N  
HETATM   14  C   UNL     1       0.350   0.026  -0.020  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.877  -0.482  -0.010  1.00  0.00           N  
HETATM   16  N   UNL     1       1.432  -0.840   0.012  1.00  0.00           N  
HETATM   17  C   UNL     1       1.211  -2.287   0.052  1.00  0.00           C  
HETATM   18  C   UNL     1       2.797  -0.307   0.005  1.00  0.00           C  
HETATM   19  C   UNL     1       3.544  -0.828  -1.225  1.00  0.00           C  
HETATM   20  C   UNL     1       4.986  -0.318  -1.194  1.00  0.00           C  
HETATM   21  N   UNL     1       5.645  -0.782   0.033  1.00  0.00           N  
HETATM   22  C   UNL     1       7.070  -0.428   0.032  1.00  0.00           C  
HETATM   23  C   UNL     1       4.973  -0.255   1.228  1.00  0.00           C  
HETATM   24  C   UNL     1       3.530  -0.763   1.270  1.00  0.00           C  
HETATM   25  H   UNL     1      -4.931  -1.925  -1.219  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.252  -1.885   0.532  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.817  -2.016   0.981  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.496  -2.056  -0.770  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.556   0.002   2.023  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.022   1.400   1.025  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.025  -0.070   1.021  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.736   5.284  -0.184  1.00  0.00           H  
HETATM   33  H   UNL     1       0.512   4.164  -0.137  1.00  0.00           H  
HETATM   34  H   UNL     1       1.163  -2.676  -0.966  1.00  0.00           H  
HETATM   35  H   UNL     1       2.033  -2.766   0.585  1.00  0.00           H  
HETATM   36  H   UNL     1       0.273  -2.498   0.566  1.00  0.00           H  
HETATM   37  H   UNL     1       2.762   0.782  -0.024  1.00  0.00           H  
HETATM   38  H   UNL     1       3.543  -1.918  -1.217  1.00  0.00           H  
HETATM   39  H   UNL     1       3.050  -0.471  -2.129  1.00  0.00           H  
HETATM   40  H   UNL     1       3.027  -0.360   2.148  1.00  0.00           H  
HETATM   41  H   UNL     1       3.529  -1.852   1.317  1.00  0.00           H  
HETATM   42  H   UNL     1       5.525  -0.699  -2.062  1.00  0.00           H  
HETATM   43  H   UNL     1       4.986   0.772  -1.217  1.00  0.00           H  
HETATM   44  H   UNL     1       7.176   0.655  -0.033  1.00  0.00           H  
HETATM   45  H   UNL     1       7.534  -0.784   0.952  1.00  0.00           H  
HETATM   46  H   UNL     1       7.559  -0.893  -0.824  1.00  0.00           H  
HETATM   47  H   UNL     1       5.502  -0.591   2.120  1.00  0.00           H  
HETATM   48  H   UNL     1       4.973   0.834   1.194  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4   25   26                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4    6    7                                            
CONECT    6    5   29   30   31                                       
CONECT    7    5    8   15   15                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   32                                       
CONECT   11   10   10   12   33                                       
CONECT   12    8    8   11   13                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15    7    7   14                                            
CONECT   16   14   17   18                                            
CONECT   17   16   34   35   36                                       
CONECT   18   16   19   24   37                                       
CONECT   19   18   20   38   39                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   23                                            
CONECT   22   21   44   45   46                                       
CONECT   23   21   24   47   48                                       
CONECT   24   18   23   40   41                                       
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
