COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.077   3.595  -0.306  1.00  0.00           C  
HETATM    2  N   UNL     1       2.062   2.236  -0.173  1.00  0.00           N  
HETATM    3  O   UNL     1       0.048   1.065  -0.061  1.00  0.00           O  
HETATM    4  S   UNL     1      -4.524   1.814   0.554  1.00  0.00           S  
HETATM    5  C   UNL     1       3.383   2.265  -0.166  1.00  0.00           C  
HETATM    6  N   UNL     1       4.022  -1.291   0.228  1.00  0.00           N  
HETATM    7  C   UNL     1       1.402   1.090  -0.053  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.525  -4.800  -1.233  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.623   2.318  -0.204  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.063  -3.197   0.396  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.114   2.095  -0.192  1.00  0.00           C  
HETATM   12  N   UNL     1       4.116   1.180  -0.041  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.832   2.111   0.932  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.149   1.681  -1.160  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.840   1.857  -1.346  1.00  0.00           C  
HETATM   16  C   UNL     1       2.139  -0.091   0.082  1.00  0.00           C  
HETATM   17  C   UNL     1       3.544  -0.016   0.085  1.00  0.00           C  
HETATM   18  C   UNL     1       2.987  -2.178   0.317  1.00  0.00           C  
HETATM   19  C   UNL     1       1.807  -1.514   0.235  1.00  0.00           C  
HETATM   20  C   UNL     1       0.451  -2.106   0.289  1.00  0.00           C  
HETATM   21  C   UNL     1       0.111  -3.194  -0.519  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.171  -3.717  -0.436  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.776  -2.169   1.173  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.525  -1.591   1.151  1.00  0.00           C  
HETATM   25  H   UNL     1       4.237   4.028   0.682  1.00  0.00           H  
HETATM   26  H   UNL     1       5.039   3.453  -0.800  1.00  0.00           H  
HETATM   27  H   UNL     1       3.459   4.267  -0.902  1.00  0.00           H  
HETATM   28  H   UNL     1       4.961  -1.530   0.262  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.420  -5.170  -1.179  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.877  -5.185  -1.844  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.347   2.974   0.622  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.333   2.780  -1.148  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.436   2.281   1.922  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.869   1.485  -1.941  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.382   1.818  -2.323  1.00  0.00           H  
HETATM   36  H   UNL     1       3.092  -3.247   0.435  1.00  0.00           H  
HETATM   37  H   UNL     1       0.835  -3.620  -1.197  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.532  -1.775   1.836  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.301  -0.750   1.791  1.00  0.00           H  
CONECT    1    5   25   26   27                                       
CONECT    2    7    5    5                                            
CONECT    3    9    7                                                 
CONECT    4   14   13                                                 
CONECT    5    2    2   12    1                                       
CONECT    6   18   17   28                                            
CONECT    7    3   16   16    2                                       
CONECT    8   22   29   30                                            
CONECT    9   11    3   31   32                                       
CONECT   10   23   23   22                                            
CONECT   11   15   13   13    9                                       
CONECT   12   17   17    5                                            
CONECT   13    4   11   11   33                                       
CONECT   14    4   15   15   34                                       
CONECT   15   14   14   11   35                                       
CONECT   16   19    7    7   17                                       
CONECT   17   16    6   12   12                                       
CONECT   18   19   19    6   36                                       
CONECT   19   20   18   18   16                                       
CONECT   20   24   24   21   19                                       
CONECT   21   22   22   20   37                                       
CONECT   22   10    8   21   21                                       
CONECT   23   10   10   24   38                                       
CONECT   24   23   20   20   39                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
