COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.089  -0.955   0.056  1.00  0.00           C  
HETATM    2  C   UNL     1       7.833   0.292   1.183  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.561  -2.386   0.238  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.523  -1.011   0.099  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.364  -0.375   0.029  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.313   0.945  -0.105  1.00  0.00           C  
HETATM    7  S   UNL     1       0.259   1.735  -0.192  1.00  0.00           S  
HETATM    8  C   UNL     1       1.344   0.293  -0.050  1.00  0.00           C  
HETATM    9  C   UNL     1       2.783   0.740  -0.102  1.00  0.00           C  
HETATM   10  N   UNL     1       3.774  -0.169  -0.014  1.00  0.00           N  
HETATM   11  C   UNL     1       5.172   0.264  -0.063  1.00  0.00           C  
HETATM   12  N   UNL     1       7.491  -0.520   0.007  1.00  0.00           N  
HETATM   13  C   UNL     1       9.139   1.044   0.921  1.00  0.00           C  
HETATM   14  C   UNL     1       8.395  -1.671  -0.120  1.00  0.00           C  
HETATM   15  C   UNL     1       8.356  -2.194  -1.557  1.00  0.00           C  
HETATM   16  O   UNL     1       3.048   1.917  -0.222  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.405   1.684  -0.176  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.621   1.122  -0.113  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.726  -0.260   0.022  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.110  -0.716   0.076  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.006   0.267  -0.012  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.511   0.060   0.018  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.811  -1.419  -0.234  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.948  -2.269   0.704  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.488  -2.185   0.222  1.00  0.00           C  
HETATM   26  S   UNL     1      -5.226   1.830  -0.188  1.00  0.00           S  
HETATM   27  H   UNL     1       5.899  -1.460   1.003  1.00  0.00           H  
HETATM   28  H   UNL     1       5.891  -1.640  -0.768  1.00  0.00           H  
HETATM   29  H   UNL     1       7.034   1.008   1.375  1.00  0.00           H  
HETATM   30  H   UNL     1       7.955  -0.358   2.049  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.751  -2.875   0.452  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.398  -2.862   0.121  1.00  0.00           H  
HETATM   33  H   UNL     1       1.154  -0.213   0.896  1.00  0.00           H  
HETATM   34  H   UNL     1       1.147  -0.392  -0.874  1.00  0.00           H  
HETATM   35  H   UNL     1       3.561  -1.111   0.083  1.00  0.00           H  
HETATM   36  H   UNL     1       5.370   0.950   0.761  1.00  0.00           H  
HETATM   37  H   UNL     1       5.362   0.770  -1.010  1.00  0.00           H  
HETATM   38  H   UNL     1       9.338   1.725   1.749  1.00  0.00           H  
HETATM   39  H   UNL     1       9.958   0.330   0.832  1.00  0.00           H  
HETATM   40  H   UNL     1       9.052   1.613  -0.005  1.00  0.00           H  
HETATM   41  H   UNL     1       9.411  -1.363   0.127  1.00  0.00           H  
HETATM   42  H   UNL     1       8.078  -2.459   0.563  1.00  0.00           H  
HETATM   43  H   UNL     1       9.005  -3.066  -1.644  1.00  0.00           H  
HETATM   44  H   UNL     1       7.335  -2.474  -1.814  1.00  0.00           H  
HETATM   45  H   UNL     1       8.702  -1.415  -2.237  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.900   0.351   0.993  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.978   0.665  -0.760  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.865  -1.616  -0.038  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.578  -1.668  -1.269  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.040  -1.893   1.723  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.280  -3.306   0.665  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.372  -2.689  -0.737  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.844  -2.656   0.965  1.00  0.00           H  
CONECT    1   12   11   27   28                                       
CONECT    2   12   13   29   30                                       
CONECT    3    4   31   32                                            
CONECT    4   19    3    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6   17   17    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   16   16                                       
CONECT   10    9   11   35                                            
CONECT   11   10    1   36   37                                       
CONECT   12   14    1    2                                            
CONECT   13    2   38   39   40                                       
CONECT   14   15   12   41   42                                       
CONECT   15   14   43   44   45                                       
CONECT   16    9    9                                                 
CONECT   17   18    6    6                                            
CONECT   18   26   19   19   17                                       
CONECT   19   20   18   18    4                                       
CONECT   20   21   21   25   19                                       
CONECT   21   22   26   20   20                                       
CONECT   22   23   21   46   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   25   50   51                                       
CONECT   25   24   20   52   53                                       
CONECT   26   21   18                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
