COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.394   0.170  -2.149  1.00  0.00           C  
HETATM    2  C   UNL     1       2.713   0.786  -0.812  1.00  0.00           C  
HETATM    3  C   UNL     1       3.632   1.812  -0.724  1.00  0.00           C  
HETATM    4  C   UNL     1       3.301   1.921   1.649  1.00  0.00           C  
HETATM    5  C   UNL     1       2.376   0.899   1.573  1.00  0.00           C  
HETATM    6  C   UNL     1       2.076   0.324   0.339  1.00  0.00           C  
HETATM    7  C   UNL     1       1.083  -0.775   0.251  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.186  -1.552   0.415  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.108  -0.103   0.258  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.694   1.454   0.071  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.764   2.094  -0.639  1.00  0.00           C  
HETATM   12  C   UNL     1       1.496  -2.065  -0.075  1.00  0.00           C  
HETATM   13  C   UNL     1       3.925   2.378   0.503  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.263  -0.520   0.499  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.539  -1.301   0.663  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.315   0.279   0.540  1.00  0.00           N  
HETATM   17  S   UNL     1      -2.319   1.089  -0.680  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.766  -2.835   0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       0.571  -3.087  -0.157  1.00  0.00           C  
HETATM   20  C   UNL     1       2.953  -2.346  -0.338  1.00  0.00           C  
HETATM   21  H   UNL     1       3.132  -0.599  -2.381  1.00  0.00           H  
HETATM   22  H   UNL     1       1.401  -0.278  -2.115  1.00  0.00           H  
HETATM   23  H   UNL     1       2.418   0.941  -2.920  1.00  0.00           H  
HETATM   24  H   UNL     1       4.122   2.173  -1.616  1.00  0.00           H  
HETATM   25  H   UNL     1       3.533   2.367   2.605  1.00  0.00           H  
HETATM   26  H   UNL     1       1.889   0.542   2.468  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.679   1.862   0.245  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.877   3.062  -1.105  1.00  0.00           H  
HETATM   29  H   UNL     1       4.646   3.181   0.567  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.587   0.477   0.756  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.079  -1.965   1.119  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.486  -3.637   0.018  1.00  0.00           H  
HETATM   33  H   UNL     1       0.893  -4.086  -0.410  1.00  0.00           H  
HETATM   34  H   UNL     1       3.428  -2.690   0.581  1.00  0.00           H  
HETATM   35  H   UNL     1       3.043  -3.116  -1.104  1.00  0.00           H  
HETATM   36  H   UNL     1       3.443  -1.434  -0.680  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2   13   24                                       
CONECT    4    5   13   13   25                                       
CONECT    5    4    6    6   26                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6   12   12   14                                       
CONECT    8   14   14   15   18                                       
CONECT    9   15   16   16   17                                       
CONECT   10   11   11   16   27                                       
CONECT   11   10   10   17   28                                       
CONECT   12    7    7   19   20                                       
CONECT   13    3    4    4   29                                       
CONECT   14    7    8    8   30                                       
CONECT   15    8    9   31                                            
CONECT   16    9    9   10                                            
CONECT   17    9   11                                                 
CONECT   18    8   19   19   32                                       
CONECT   19   12   18   18   33                                       
CONECT   20   12   34   35   36                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
