COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.477   2.978  -0.896  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.566   1.482  -1.200  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.915   0.752   0.026  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.269   1.097   0.477  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.450   0.660   1.932  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.777  -0.698  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.317  -1.070  -0.154  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.625  -1.193  -1.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.285  -1.535  -1.332  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.669  -1.284   1.049  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.330  -1.625   1.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.639  -1.754  -0.130  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.179  -2.128  -0.117  1.00  0.00           C  
HETATM   14  N   UNL     1       0.636  -0.912  -0.053  1.00  0.00           N  
HETATM   15  C   UNL     1       1.981  -1.002  -0.031  1.00  0.00           C  
HETATM   16  O   UNL     1       2.518  -2.093  -0.064  1.00  0.00           O  
HETATM   17  C   UNL     1       2.798   0.218   0.034  1.00  0.00           C  
HETATM   18  C   UNL     1       4.257   0.199   0.055  1.00  0.00           C  
HETATM   19  C   UNL     1       5.170  -0.896   0.027  1.00  0.00           C  
HETATM   20  O   UNL     1       4.763  -2.044  -0.023  1.00  0.00           O  
HETATM   21  N   UNL     1       6.493  -0.636   0.056  1.00  0.00           N  
HETATM   22  C   UNL     1       6.937   0.645   0.112  1.00  0.00           C  
HETATM   23  N   UNL     1       6.118   1.655   0.138  1.00  0.00           N  
HETATM   24  C   UNL     1       4.779   1.484   0.111  1.00  0.00           C  
HETATM   25  S   UNL     1       3.469   2.655   0.136  1.00  0.00           S  
HETATM   26  C   UNL     1       2.272   1.449   0.072  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.219   3.520  -1.806  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.440   3.331  -0.525  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.711   3.151  -0.140  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.332   1.309  -1.956  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.603   1.129  -1.571  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.414   2.175   0.401  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.002   0.588  -0.150  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.461   0.900   2.260  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.288  -0.415   2.010  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.730   1.183   2.560  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.293  -1.222   0.638  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.216  -0.980  -1.124  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.130  -1.022  -2.283  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.744  -1.632  -2.261  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.209  -1.183   1.979  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.823  -1.791   2.000  1.00  0.00           H  
HETATM   43  H   UNL     1       0.029  -2.751   0.753  1.00  0.00           H  
HETATM   44  H   UNL     1       0.063  -2.680  -1.025  1.00  0.00           H  
HETATM   45  H   UNL     1       0.208  -0.042  -0.026  1.00  0.00           H  
HETATM   46  H   UNL     1       8.000   0.831   0.135  1.00  0.00           H  
HETATM   47  H   UNL     1       1.211   1.652   0.060  1.00  0.00           H  
HETATM   48  H   UNL     1       7.129  -1.367   0.039  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1   30   31                                       
CONECT    3    6    2    4                                            
CONECT    4    3    5   32   33                                       
CONECT    5    4   34   35   36                                       
CONECT    6    7    3   37   38                                       
CONECT    7    8    6   10   10                                       
CONECT    8    9    9    7   39                                       
CONECT    9    8    8   12   40                                       
CONECT   10    7    7   11   41                                       
CONECT   11   12   12   10   42                                       
CONECT   12    9   13   11   11                                       
CONECT   13   14   12   43   44                                       
CONECT   14   15   13   45                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   26   26   15                                       
CONECT   18   24   24   19   17                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   48                                            
CONECT   22   23   23   21   46                                       
CONECT   23   22   22   24                                            
CONECT   24   23   18   18   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   17   17   47                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
