COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.780  -0.595   0.435  1.00  0.00           N  
HETATM    2  N   UNL     1       3.983  -2.503  -1.269  1.00  0.00           N  
HETATM    3  C   UNL     1       3.116  -0.577  -0.220  1.00  0.00           C  
HETATM    4  C   UNL     1       1.867  -1.224  -0.137  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.509  -1.285   0.512  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.620  -0.269   0.586  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.470   0.873   1.350  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.684   1.594   0.721  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.469   1.369  -0.364  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.736   2.652   0.878  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.888  -2.889   1.842  1.00  0.00           C  
HETATM   12  C   UNL     1       4.191  -1.269  -0.814  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.910   0.447  -2.331  1.00  0.00           O  
HETATM   14  S   UNL     1      -5.280   0.146  -0.992  1.00  0.00           S  
HETATM   15  O   UNL     1      -5.667  -1.169  -0.615  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.726   2.711  -0.272  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.492   1.794   1.416  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.819   0.464  -0.052  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.792  -0.467  -0.114  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.541  -2.167   1.761  1.00  0.00           C  
HETATM   21  C   UNL     1       0.586  -3.199   1.686  1.00  0.00           C  
HETATM   22  N   UNL     1       1.763  -2.458  -0.621  1.00  0.00           N  
HETATM   23  C   UNL     1       2.799  -3.067  -1.168  1.00  0.00           C  
HETATM   24  C   UNL     1       3.600   0.689   0.170  1.00  0.00           C  
HETATM   25  N   UNL     1       5.278  -0.442  -0.777  1.00  0.00           N  
HETATM   26  C   UNL     1       4.914   0.751  -0.177  1.00  0.00           C  
HETATM   27  C   UNL     1       5.803   1.898   0.049  1.00  0.00           C  
HETATM   28  O   UNL     1       5.376   2.901   0.589  1.00  0.00           O  
HETATM   29  N   UNL     1       7.092   1.839  -0.341  1.00  0.00           N  
HETATM   30  C   UNL     1       7.978   2.983  -0.115  1.00  0.00           C  
HETATM   31  H   UNL     1       0.872   0.304   0.789  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.643  -1.906  -0.375  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.553   1.043   1.895  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.310   1.456  -1.051  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.824   1.070   0.622  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.286   2.461   1.800  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.245   3.621   0.964  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.022  -3.509   0.956  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.911  -3.517   2.732  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.691  -2.154   1.895  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.192   2.896  -1.203  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.443   3.513  -0.095  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.369   2.684   2.016  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.912  -1.356  -0.716  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.408  -1.547   2.648  1.00  0.00           H  
HETATM   46  H   UNL     1       0.452  -3.819   0.800  1.00  0.00           H  
HETATM   47  H   UNL     1       1.545  -2.685   1.629  1.00  0.00           H  
HETATM   48  H   UNL     1       0.563  -3.828   2.577  1.00  0.00           H  
HETATM   49  H   UNL     1       2.668  -4.069  -1.550  1.00  0.00           H  
HETATM   50  H   UNL     1       3.031   1.468   0.656  1.00  0.00           H  
HETATM   51  H   UNL     1       6.161  -0.656  -1.117  1.00  0.00           H  
HETATM   52  H   UNL     1       7.432   1.039  -0.771  1.00  0.00           H  
HETATM   53  H   UNL     1       8.035   3.194   0.953  1.00  0.00           H  
HETATM   54  H   UNL     1       8.974   2.752  -0.494  1.00  0.00           H  
HETATM   55  H   UNL     1       7.585   3.856  -0.637  1.00  0.00           H  
CONECT    1    4    5   31                                            
CONECT    2   23   12   12                                            
CONECT    3   24    4    4   12                                       
CONECT    4    3    3    1   22                                       
CONECT    5    1    6   20   32                                       
CONECT    6    5    7    7   19                                       
CONECT    7    6    6   17   33                                       
CONECT    8   17   17   18   10                                       
CONECT    9   14   16   34   35                                       
CONECT   10   16    8   36   37                                       
CONECT   11   20   38   39   40                                       
CONECT   12    2    2    3   25                                       
CONECT   13   14   14                                                 
CONECT   14   18   15   15   13                                       
CONECT   14   13    9                                                 
CONECT   15   14   14                                                 
CONECT   16    9   10   41   42                                       
CONECT   17    7    8    8   43                                       
CONECT   18    8   19   19   14                                       
CONECT   19   18   18    6   44                                       
CONECT   20    5   11   21   45                                       
CONECT   21   20   46   47   48                                       
CONECT   22    4   23   23                                            
CONECT   23   22   22    2   49                                       
CONECT   24   26   26    3   50                                       
CONECT   25   12   26   51                                            
CONECT   26   27   24   24   25                                       
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   52                                            
CONECT   30   29   53   54   55                                       
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
