COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.826  -2.119  -0.094  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.311   2.102   0.075  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.406   0.789   0.020  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.135   0.086  -0.008  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.049   0.953   0.064  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.416  -0.727   0.101  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.628  -2.773   0.861  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.174  -2.874   0.776  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.477  -1.768  -0.259  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.909  -1.322  -0.117  1.00  0.00           C  
HETATM   11  C   UNL     1       1.025  -0.963   0.148  1.00  0.00           C  
HETATM   12  C   UNL     1       1.231   0.322  -0.336  1.00  0.00           C  
HETATM   13  C   UNL     1       2.516   0.789  -0.529  1.00  0.00           C  
HETATM   14  C   UNL     1       3.602  -0.027  -0.239  1.00  0.00           C  
HETATM   15  O   UNL     1       7.494   1.185   0.361  1.00  0.00           O  
HETATM   16  C   UNL     1       3.396  -1.312   0.245  1.00  0.00           C  
HETATM   17  C   UNL     1       2.111  -1.779   0.438  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.767   0.516   0.104  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.490   3.039   0.112  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.251  -2.262  -1.581  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.278  -1.435   0.349  1.00  0.00           N  
HETATM   22  N   UNL     1       4.904   0.446  -0.435  1.00  0.00           N  
HETATM   23  C   UNL     1       5.132   1.689   0.317  1.00  0.00           C  
HETATM   24  C   UNL     1       6.545   2.202   0.027  1.00  0.00           C  
HETATM   25  C   UNL     1       7.302  -0.039  -0.353  1.00  0.00           C  
HETATM   26  C   UNL     1       5.896  -0.575  -0.067  1.00  0.00           C  
HETATM   27  S   UNL     1      -3.637   2.617   0.105  1.00  0.00           S  
HETATM   28  H   UNL     1      -6.356   0.275  -0.001  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.302  -2.875   1.896  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.167  -3.544   0.245  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.485  -3.852   0.410  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.636  -2.651   1.738  1.00  0.00           H  
HETATM   33  H   UNL     1       0.387   0.956  -0.562  1.00  0.00           H  
HETATM   34  H   UNL     1       2.677   1.788  -0.905  1.00  0.00           H  
HETATM   35  H   UNL     1       4.240  -1.947   0.470  1.00  0.00           H  
HETATM   36  H   UNL     1       1.950  -2.779   0.814  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.775   3.223   1.148  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.219   3.982  -0.363  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.328   2.591  -0.421  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.305  -1.584  -2.269  1.00  0.00           H  
HETATM   41  H   UNL     1       4.403   2.438   0.010  1.00  0.00           H  
HETATM   42  H   UNL     1       5.028   1.493   1.384  1.00  0.00           H  
HETATM   43  H   UNL     1       6.739   3.092   0.626  1.00  0.00           H  
HETATM   44  H   UNL     1       6.633   2.448  -1.031  1.00  0.00           H  
HETATM   45  H   UNL     1       7.412   0.142  -1.422  1.00  0.00           H  
HETATM   46  H   UNL     1       8.043  -0.769  -0.029  1.00  0.00           H  
HETATM   47  H   UNL     1       5.804  -0.807   0.994  1.00  0.00           H  
HETATM   48  H   UNL     1       5.725  -1.477  -0.654  1.00  0.00           H  
CONECT    1   10   10                                                 
CONECT    2   19    3    3   27                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5   10                                       
CONECT    5   27    4    4   18                                       
CONECT    6   18   18    9   21                                       
CONECT    7    8   21   29   30                                       
CONECT    8    9    7   31   32                                       
CONECT    9   10    6   20    8                                       
CONECT   10    4    1    1    9                                       
CONECT   11   21   12   12   17                                       
CONECT   12   11   11   13   33                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   16   22                                       
CONECT   15   24   25                                                 
CONECT   16   17   17   14   35                                       
CONECT   17   11   16   16   36                                       
CONECT   18    5    6    6                                            
CONECT   19    2   37   38   39                                       
CONECT   20    9   40                                                 
CONECT   21    6    7   11                                            
CONECT   22   14   23   26                                            
CONECT   23   22   24   41   42                                       
CONECT   24   23   15   43   44                                       
CONECT   25   26   15   45   46                                       
CONECT   26   22   25   47   48                                       
CONECT   27    2    5                                                 
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
