COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.237  -1.567  -1.264  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.647  -2.163  -1.232  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.775  -3.009  -0.086  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.540  -2.338   1.154  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.129  -1.743   1.147  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.987  -0.844  -0.008  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.736  -0.242  -0.020  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.659  -0.992  -0.119  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.643   1.153   0.068  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.918   1.947   0.164  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.633   3.358   0.676  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.505   3.962  -0.168  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.209   3.220   0.158  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.416   1.733   0.060  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.267   0.911  -0.045  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.430  -0.464  -0.142  1.00  0.00           C  
HETATM   17  S   UNL     1       1.130  -1.265  -0.262  1.00  0.00           S  
HETATM   18  C   UNL     1       2.013   0.246  -0.180  1.00  0.00           C  
HETATM   19  C   UNL     1       1.143   1.322  -0.076  1.00  0.00           C  
HETATM   20  N   UNL     1       1.674   2.558  -0.002  1.00  0.00           N  
HETATM   21  N   UNL     1       2.943   2.739  -0.027  1.00  0.00           N  
HETATM   22  N   UNL     1       3.791   1.781  -0.123  1.00  0.00           N  
HETATM   23  C   UNL     1       3.395   0.517  -0.212  1.00  0.00           C  
HETATM   24  N   UNL     1       4.320  -0.511  -0.315  1.00  0.00           N  
HETATM   25  C   UNL     1       5.693   0.012  -0.308  1.00  0.00           C  
HETATM   26  C   UNL     1       6.677  -1.144  -0.502  1.00  0.00           C  
HETATM   27  N   UNL     1       6.488  -2.132   0.569  1.00  0.00           N  
HETATM   28  C   UNL     1       5.114  -2.655   0.562  1.00  0.00           C  
HETATM   29  C   UNL     1       4.130  -1.499   0.757  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.505  -2.367  -1.375  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.152  -0.877  -2.104  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.381  -1.360  -1.175  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.815  -2.747  -2.137  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.271  -1.539   1.281  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.631  -3.049   1.976  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.966  -1.182   2.067  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.396  -2.546   1.075  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.379   2.009  -0.822  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.603   1.447   0.849  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.530   3.971   0.582  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.329   3.313   1.722  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.737   3.848  -1.227  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.393   5.020   0.071  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.433   3.523  -0.546  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.895   3.471   1.171  1.00  0.00           H  
HETATM   46  H   UNL     1       5.812   0.731  -1.117  1.00  0.00           H  
HETATM   47  H   UNL     1       5.891   0.501   0.646  1.00  0.00           H  
HETATM   48  H   UNL     1       6.497  -1.616  -1.468  1.00  0.00           H  
HETATM   49  H   UNL     1       7.698  -0.762  -0.469  1.00  0.00           H  
HETATM   50  H   UNL     1       7.160  -2.880   0.495  1.00  0.00           H  
HETATM   51  H   UNL     1       4.916  -3.144  -0.392  1.00  0.00           H  
HETATM   52  H   UNL     1       4.995  -3.374   1.372  1.00  0.00           H  
HETATM   53  H   UNL     1       4.310  -1.027   1.723  1.00  0.00           H  
HETATM   54  H   UNL     1       3.109  -1.881   0.723  1.00  0.00           H  
CONECT    1    6    2   30   31                                       
CONECT    2    3    1   32   33                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7    1                                            
CONECT    7    8    8    9    6                                       
CONECT    8   16    7    7                                            
CONECT    9   14   14    7   10                                       
CONECT   10    9   11   38   39                                       
CONECT   11   12   10   40   41                                       
CONECT   12   13   11   42   43                                       
CONECT   13   14   12   44   45                                       
CONECT   14   15   13    9    9                                       
CONECT   15   19   16   16   14                                       
CONECT   16   17   15   15    8                                       
CONECT   17   18   16                                                 
CONECT   18   23   17   19   19                                       
CONECT   19   18   18   20   15                                       
CONECT   20   21   21   19                                            
CONECT   21   22   20   20                                            
CONECT   22   23   23   21                                            
CONECT   23   24   22   22   18                                       
CONECT   24   25   29   23                                            
CONECT   25   26   24   46   47                                       
CONECT   26   27   25   48   49                                       
CONECT   27   26   28   50                                            
CONECT   28   27   29   51   52                                       
CONECT   29   28   24   53   54                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
