COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.517  -1.484   0.066  1.00  0.00           C  
HETATM    2  C   UNL     1       4.498   0.978   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.718  -1.836   0.005  1.00  0.00           C  
HETATM    4  CA  UNL     1      -1.468   3.155  -0.064  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.702   2.509  -0.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.717  -1.573   0.943  1.00  0.00           C  
HETATM    7  C   UNL     1       4.776  -2.968   0.102  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.023  -3.284   0.121  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.431   4.661  -0.079  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.907  -2.880  -0.908  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.082  -3.608  -0.839  1.00  0.00           C  
HETATM   12  N   UNL     1       3.350  -0.940  -0.019  1.00  0.00           N  
HETATM   13  C   UNL     1       0.887   0.421  -0.090  1.00  0.00           C  
HETATM   14  C   UNL     1       3.300   0.379  -0.033  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.322   1.156  -0.067  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.542   0.439  -0.036  1.00  0.00           C  
HETATM   17  N   UNL     1       2.096   1.095  -0.121  1.00  0.00           N  
HETATM   18  N   UNL     1       0.876  -0.896  -0.081  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.338   2.489  -0.080  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.482  -1.021  -0.028  1.00  0.00           C  
HETATM   21  S   UNL     1       5.728  -0.280   0.138  1.00  0.00           S  
HETATM   22  C   UNL     1      -0.233  -1.618  -0.052  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.754   1.141  -0.012  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.818  -2.295   0.969  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.765   5.171  -0.051  1.00  0.00           O  
HETATM   26  H   UNL     1       4.677   2.043   0.046  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.615   3.086  -0.009  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.585  -0.770   1.653  1.00  0.00           H  
HETATM   29  H   UNL     1       5.848  -3.149   0.180  1.00  0.00           H  
HETATM   30  H   UNL     1       4.270  -3.404   0.963  1.00  0.00           H  
HETATM   31  H   UNL     1       4.396  -3.425  -0.812  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.941  -3.850   0.177  1.00  0.00           H  
HETATM   33  H1  UNL     1      -0.886   5.020   0.794  1.00  0.00           H  
HETATM   34  H2  UNL     1      -0.930   5.003  -0.985  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.154  -3.111  -1.647  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.261  -4.420  -1.527  1.00  0.00           H  
HETATM   37  H   UNL     1       2.111   2.061  -0.204  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.161  -2.696  -0.047  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.700   0.620   0.012  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.817   6.137  -0.059  1.00  0.00           H  
CONECT    1   12   12   21    7                                       
CONECT    2   14   14   21   26                                       
CONECT    3   20   10   10    6                                       
CONECT    4   19   19    9    5                                       
CONECT    5   23   23    4   27                                       
CONECT    6    3   24   24   28                                       
CONECT    7    1   29   30   31                                       
CONECT    8   24   11   11   32                                       
CONECT    9    4   25   33   34                                       
CONECT   10    3    3   11   35                                       
CONECT   11    8    8   10   36                                       
CONECT   12   14    1    1                                            
CONECT   13   18   18   15   17                                       
CONECT   14   12   17    2    2                                       
CONECT   15   13   16   16   19                                       
CONECT   16   15   15   23   20                                       
CONECT   17   13   14   37                                            
CONECT   18   13   13   22                                            
CONECT   19   15    4    4                                            
CONECT   20   16    3   22   22                                       
CONECT   21    1    2                                                 
CONECT   22   18   20   20   38                                       
CONECT   23   16    5    5   39                                       
CONECT   24    8    6    6                                            
CONECT   25    9   40                                                 
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   17                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
