COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.616   2.704  -0.979  1.00  0.00           C  
HETATM    2  N   UNL     1       4.178   1.491  -0.284  1.00  0.00           N  
HETATM    3  C   UNL     1       2.816   1.166  -0.217  1.00  0.00           C  
HETATM    4  C   UNL     1       1.898   2.212  -0.217  1.00  0.00           C  
HETATM    5  C   UNL     1       0.543   1.958  -0.167  1.00  0.00           C  
HETATM    6  C   UNL     1       0.077   0.650  -0.118  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.299   0.397  -0.075  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.250   1.512  -0.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.656   0.974  -0.030  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.270   0.761   1.190  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.560   0.267   1.238  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.236  -0.014   0.066  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.623   0.199  -1.155  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.335   0.698  -1.202  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.642  -0.554   0.118  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.156  -0.777  -1.306  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.651  -1.882   0.877  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.548   0.450   0.835  1.00  0.00           C  
HETATM   19  C   UNL     1       0.976  -0.403  -0.112  1.00  0.00           C  
HETATM   20  C   UNL     1       2.349  -0.154  -0.154  1.00  0.00           C  
HETATM   21  C   UNL     1       3.287  -1.295  -0.111  1.00  0.00           C  
HETATM   22  C   UNL     1       4.633  -1.131   0.149  1.00  0.00           C  
HETATM   23  C   UNL     1       5.239  -2.365   0.126  1.00  0.00           C  
HETATM   24  N   UNL     1       4.318  -3.267  -0.138  1.00  0.00           N  
HETATM   25  N   UNL     1       3.082  -2.617  -0.292  1.00  0.00           N  
HETATM   26  C   UNL     1       1.800  -3.259  -0.596  1.00  0.00           C  
HETATM   27  S   UNL     1       5.295   0.478   0.431  1.00  0.00           S  
HETATM   28  O   UNL     1       6.491   0.577  -0.330  1.00  0.00           O  
HETATM   29  O   UNL     1       5.230   0.711   1.831  1.00  0.00           O  
HETATM   30  H   UNL     1       5.702   2.780  -0.927  1.00  0.00           H  
HETATM   31  H   UNL     1       4.305   2.658  -2.022  1.00  0.00           H  
HETATM   32  H   UNL     1       4.168   3.577  -0.504  1.00  0.00           H  
HETATM   33  H   UNL     1       2.250   3.232  -0.256  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.158   2.780  -0.167  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.624  -0.516  -0.040  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.071   2.147   0.786  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.118   2.096  -0.993  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.742   0.981   2.106  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.040   0.101   2.191  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.151  -0.021  -2.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.855   0.865  -2.156  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.150   0.169  -1.847  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.511  -1.492  -1.817  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.173  -1.168  -1.268  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.668  -2.272   0.915  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.006  -2.597   0.367  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.285  -1.723   1.892  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.542   1.396   0.294  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.565   0.059   0.872  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.182   0.609   1.849  1.00  0.00           H  
HETATM   51  H   UNL     1       0.614  -1.420  -0.073  1.00  0.00           H  
HETATM   52  H   UNL     1       6.288  -2.559   0.295  1.00  0.00           H  
HETATM   53  H   UNL     1       1.585  -3.156  -1.659  1.00  0.00           H  
HETATM   54  H   UNL     1       1.853  -4.316  -0.336  1.00  0.00           H  
HETATM   55  H   UNL     1       1.009  -2.782  -0.017  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1   27                                            
CONECT    3    4    4    2   20                                       
CONECT    4    5    3    3   33                                       
CONECT    5    6    6    4   34                                       
CONECT    6    7    5    5   19                                       
CONECT    7    8    6   35                                            
CONECT    8    9    7   36   37                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12   15   11   11   13                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13    9   41                                       
CONECT   15   16   17   18   12                                       
CONECT   16   15   42   43   44                                       
CONECT   17   15   45   46   47                                       
CONECT   18   15   48   49   50                                       
CONECT   19    6   20   20   51                                       
CONECT   20   19   19    3   21                                       
CONECT   21   20   22   22   25                                       
CONECT   22   27   21   21   23                                       
CONECT   23   22   24   24   52                                       
CONECT   24   25   23   23                                            
CONECT   25   21   26   24                                            
CONECT   26   25   53   54   55                                       
CONECT   27    2   28   28   29                                       
CONECT   27   29   22                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
