COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.612   3.152  -0.106  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.000   4.388  -0.176  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.798   1.930  -0.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.030   0.180  -0.117  1.00  0.00           C  
HETATM    5  C   UNL     1       2.431   0.031  -0.222  1.00  0.00           C  
HETATM    6  C   UNL     1       2.900   0.416   1.183  1.00  0.00           C  
HETATM    7  C   UNL     1       4.277   1.077   1.097  1.00  0.00           C  
HETATM    8  C   UNL     1       5.275   0.097   0.477  1.00  0.00           C  
HETATM    9  C   UNL     1       4.806  -0.288  -0.928  1.00  0.00           C  
HETATM   10  C   UNL     1       3.429  -0.948  -0.842  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.288   0.673  -0.041  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.309  -0.307  -0.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.617  -1.756   0.009  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.039  -2.632  -0.908  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.326  -3.980  -0.845  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.185  -4.463   0.125  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.762  -3.598   1.038  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.483  -2.248   0.985  1.00  0.00           C  
HETATM   19  N   UNL     1       1.112  -0.601  -0.140  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.916   3.070  -0.040  1.00  0.00           N  
HETATM   21  S   UNL     1      -0.044   1.885  -0.178  1.00  0.00           S  
HETATM   22  H   UNL     1      -1.033   4.449  -0.221  1.00  0.00           H  
HETATM   23  H   UNL     1       2.367   0.926  -0.841  1.00  0.00           H  
HETATM   24  H   UNL     1       2.189   1.114   1.625  1.00  0.00           H  
HETATM   25  H   UNL     1       2.964  -0.478   1.802  1.00  0.00           H  
HETATM   26  H   UNL     1       4.213   1.972   0.477  1.00  0.00           H  
HETATM   27  H   UNL     1       4.611   1.351   2.098  1.00  0.00           H  
HETATM   28  H   UNL     1       6.257   0.568   0.416  1.00  0.00           H  
HETATM   29  H   UNL     1       5.339  -0.797   1.097  1.00  0.00           H  
HETATM   30  H   UNL     1       4.742   0.607  -1.547  1.00  0.00           H  
HETATM   31  H   UNL     1       5.517  -0.986  -1.370  1.00  0.00           H  
HETATM   32  H   UNL     1       3.493  -1.843  -0.222  1.00  0.00           H  
HETATM   33  H   UNL     1       3.095  -1.223  -1.843  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.344   0.452   0.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.368  -2.256  -1.667  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.879  -4.660  -1.556  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.407  -5.519   0.171  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.432  -3.981   1.794  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.931  -1.574   1.701  1.00  0.00           H  
HETATM   40  H   UNL     1       1.039  -1.568  -0.102  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.453   3.878  -0.043  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.537   5.196  -0.180  1.00  0.00           H  
CONECT    1   20   20    3    2                                       
CONECT    2    1   22   42                                            
CONECT    3   11   11    1   21                                       
CONECT    4   12   12   21   19                                       
CONECT    5   19   10    6   23                                       
CONECT    6    7    5   24   25                                       
CONECT    7    8    6   26   27                                       
CONECT    8    9    7   28   29                                       
CONECT    9    8   10   30   31                                       
CONECT   10    9    5   32   33                                       
CONECT   11   12    3    3   34                                       
CONECT   12   13   11    4    4                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   35                                       
CONECT   15   16   16   14   36                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   13   39                                       
CONECT   19    4    5   40                                            
CONECT   20    1    1   41                                            
CONECT   21    3    4                                                 
CONECT   22    2                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42    2                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
