COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.372   0.388  -5.783  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.681  -0.193  -5.076  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.757  -0.068  -3.767  1.00  0.00           N  
HETATM    4  C   UNL     1       0.146   0.615  -3.080  1.00  0.00           C  
HETATM    5  C   UNL     1       1.224   1.221  -3.720  1.00  0.00           C  
HETATM    6  C   UNL     1       1.346   1.112  -5.079  1.00  0.00           C  
HETATM    7  N   UNL     1       0.018   0.724  -1.700  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.932   0.021  -1.054  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.893  -1.106  -1.910  1.00  0.00           S  
HETATM   10  N   UNL     1      -1.126   0.207   0.266  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.160  -0.556   0.969  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.969   0.173   2.044  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.925  -0.869   2.448  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.647  -0.370   3.071  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.692   0.415   4.213  1.00  0.00           C  
HETATM   16  C   UNL     1       0.484   0.880   4.794  1.00  0.00           C  
HETATM   17  C   UNL     1       1.694   0.572   4.244  1.00  0.00           C  
HETATM   18  C   UNL     1       1.759  -0.215   3.086  1.00  0.00           C  
HETATM   19  C   UNL     1       0.572  -0.686   2.497  1.00  0.00           C  
HETATM   20  O   UNL     1       0.622  -1.449   1.378  1.00  0.00           O  
HETATM   21  C   UNL     1       3.057  -0.547   2.493  1.00  0.00           C  
HETATM   22  O   UNL     1       3.109  -1.229   1.492  1.00  0.00           O  
HETATM   23  C   UNL     1       4.327  -0.041   3.128  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.889   0.727   4.771  1.00  0.00           O  
HETATM   25  C   UNL     1       0.458   0.247  -7.205  1.00  0.00           C  
HETATM   26  N   UNL     1       0.526   0.135  -8.334  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.612   1.530   5.920  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.437  -0.752  -5.606  1.00  0.00           H  
HETATM   29  H   UNL     1       1.957   1.772  -3.149  1.00  0.00           H  
HETATM   30  H   UNL     1       2.174   1.574  -5.598  1.00  0.00           H  
HETATM   31  H   UNL     1       0.614   1.305  -1.203  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.582   0.846   0.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.679  -1.306   0.371  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.020  -0.097   2.154  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.732   1.220   2.229  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.288  -1.826   2.823  1.00  0.00           H  
HETATM   37  H   UNL     1       0.439   1.488   5.686  1.00  0.00           H  
HETATM   38  H   UNL     1       2.603   0.937   4.700  1.00  0.00           H  
HETATM   39  H   UNL     1       0.742  -2.364   1.668  1.00  0.00           H  
HETATM   40  H   UNL     1       5.184  -0.387   2.551  1.00  0.00           H  
HETATM   41  H   UNL     1       4.315   1.048   3.144  1.00  0.00           H  
HETATM   42  H   UNL     1       4.399  -0.419   4.148  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.549   1.807   6.404  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.996   0.963   6.619  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.080   2.431   5.615  1.00  0.00           H  
CONECT    1    2    2    6   25                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   29                                       
CONECT    6    1    5    5   30                                       
CONECT    7    4    8   31                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   32                                            
CONECT   11   10   12   13   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   11   12   14   36                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   24                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   21                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19   39                                                 
CONECT   21   18   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   40   41   42                                       
CONECT   24   15   27                                                 
CONECT   25    1   26   26   26                                       
CONECT   26   25   25   25                                            
CONECT   27   24   43   44   45                                       
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
