COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.289  -0.913   1.621  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.766  -0.804   1.236  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.209  -2.095   0.544  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.380   0.714  -0.583  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.993   1.973  -0.164  1.00  0.00           C  
HETATM    6  C   UNL     1       0.315   2.214   0.222  1.00  0.00           C  
HETATM    7  C   UNL     1       1.246   1.182   0.190  1.00  0.00           C  
HETATM    8  C   UNL     1       0.852  -0.101  -0.236  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.465  -0.325  -0.621  1.00  0.00           C  
HETATM   10  C   UNL     1       1.845  -1.197  -0.272  1.00  0.00           C  
HETATM   11  C   UNL     1       5.592  -1.501  -0.361  1.00  0.00           C  
HETATM   12  C   UNL     1       5.979  -0.241   0.057  1.00  0.00           C  
HETATM   13  C   UNL     1       5.030   0.716   0.372  1.00  0.00           C  
HETATM   14  C   UNL     1       3.678   0.410   0.267  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.607  -0.585   2.495  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.950   0.327   0.323  1.00  0.00           N  
HETATM   17  S   UNL     1      -3.050   0.426  -1.064  1.00  0.00           S  
HETATM   18  O   UNL     1      -3.481   1.600  -1.739  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.081  -0.865  -1.656  1.00  0.00           O  
HETATM   20  O   UNL     1       1.482  -2.351  -0.392  1.00  0.00           O  
HETATM   21  C   UNL     1       3.284  -0.873  -0.159  1.00  0.00           C  
HETATM   22  C   UNL     1       4.250  -1.823  -0.471  1.00  0.00           C  
HETATM   23  C   UNL     1       2.648   1.420   0.597  1.00  0.00           C  
HETATM   24  O   UNL     1       2.951   2.433   1.196  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.720  -1.296   0.774  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.912   0.072   1.898  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.184  -1.593   2.467  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.215  -2.911   1.268  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.212  -1.963   0.137  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.517  -2.331  -0.264  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.716   2.775  -0.140  1.00  0.00           H  
HETATM   32  H   UNL     1       0.610   3.200   0.548  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.774  -1.308  -0.944  1.00  0.00           H  
HETATM   34  H   UNL     1       6.342  -2.239  -0.604  1.00  0.00           H  
HETATM   35  H   UNL     1       7.029  -0.002   0.138  1.00  0.00           H  
HETATM   36  H   UNL     1       5.339   1.698   0.699  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.291   0.335   2.987  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.659  -0.507   2.220  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.470  -1.426   3.174  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.598   1.018   0.530  1.00  0.00           H  
HETATM   41  H   UNL     1       3.954  -2.809  -0.799  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2   16   15    1    3                                       
CONECT    3    2   28   29   30                                       
CONECT    4    5    5    9   17                                       
CONECT    5    6    4    4   31                                       
CONECT    6    7    7    5   32                                       
CONECT    7   23    6    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8    4   33                                       
CONECT   10   21    8   20   20                                       
CONECT   11   12   22   22   34                                       
CONECT   12   13   13   11   35                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   23   21   21                                       
CONECT   15    2   37   38   39                                       
CONECT   16   17    2   40                                            
CONECT   17    4   19   19   16                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   10   10                                                 
CONECT   21   14   14   22   10                                       
CONECT   22   11   11   21   41                                       
CONECT   23   24   24   14    7                                       
CONECT   24   23   23                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
