COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.928   2.335   1.145  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.184   3.289  -1.135  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.898  -0.764  -1.512  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.623  -1.042   0.281  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.158  -3.765   0.401  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -2.980  -0.485  1.00  0.00           C  
HETATM    7  C   UNL     1       0.384  -0.311  -0.862  1.00  0.00           C  
HETATM    8  C   UNL     1       0.548   0.869  -0.230  1.00  0.00           C  
HETATM    9  C   UNL     1       1.815   1.068   0.297  1.00  0.00           C  
HETATM   10  C   UNL     1       2.658   0.036   0.080  1.00  0.00           C  
HETATM   11  C   UNL     1       4.059  -0.024   0.527  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.539   1.873  -0.110  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.943   3.264   1.251  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.570   3.740   0.114  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.173   2.356  -1.253  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.676  -1.619  -0.545  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.337  -1.827   1.167  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.104  -3.188   1.228  1.00  0.00           C  
HETATM   19  N   UNL     1       4.826  -1.137   0.244  1.00  0.00           N  
HETATM   20  N   UNL     1       4.577   0.975   1.190  1.00  0.00           N  
HETATM   21  S   UNL     1       1.825  -1.224  -0.818  1.00  0.00           S  
HETATM   22  H   UNL     1      -0.440   1.963   2.034  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.677   3.664  -2.020  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.493   0.107  -1.787  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.667  -1.344  -2.405  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.801   0.022   0.237  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.976  -4.828   0.449  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.705  -3.431  -1.131  1.00  0.00           H  
HETATM   29  H   UNL     1       2.100   1.963   0.831  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.249   3.619   2.224  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.360   4.471   0.201  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.873   2.004  -2.228  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.076  -1.376   1.813  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.662  -3.801   1.920  1.00  0.00           H  
HETATM   35  H   UNL     1       4.441  -1.878  -0.248  1.00  0.00           H  
HETATM   36  H   UNL     1       5.749  -1.176   0.539  1.00  0.00           H  
HETATM   37  H   UNL     1       4.038   1.757   1.388  1.00  0.00           H  
CONECT    1   13   13   12   22                                       
CONECT    2   14   14   15   23                                       
CONECT    3    7   16   24   25                                       
CONECT    4   16   16   17   26                                       
CONECT    5    6    6   18   27                                       
CONECT    6   16    5    5   28                                       
CONECT    7    8    8   21    3                                       
CONECT    8   12    9    7    7                                       
CONECT    9    8   10   10   29                                       
CONECT   10    9    9   11   21                                       
CONECT   11   19   10   20   20                                       
CONECT   12   15   15    1    8                                       
CONECT   13   14    1    1   30                                       
CONECT   14    2    2   13   31                                       
CONECT   15    2   12   12   32                                       
CONECT   16    3    4    4    6                                       
CONECT   17    4   18   18   33                                       
CONECT   18   17   17    5   34                                       
CONECT   19   11   35   36                                            
CONECT   20   11   11   37                                            
CONECT   21   10    7                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
