COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.371  -0.105   1.147  1.00  0.00           C  
HETATM    2  N   UNL     1       7.379   0.754   0.497  1.00  0.00           N  
HETATM    3  C   UNL     1       6.066   0.337   0.393  1.00  0.00           C  
HETATM    4  N   UNL     1       5.609  -0.796   0.838  1.00  0.00           N  
HETATM    5  C   UNL     1       4.333  -1.039   0.658  1.00  0.00           C  
HETATM    6  C   UNL     1       3.668  -2.310   1.121  1.00  0.00           C  
HETATM    7  C   UNL     1       3.663  -0.051   0.020  1.00  0.00           C  
HETATM    8  C   UNL     1       2.232  -0.052  -0.314  1.00  0.00           C  
HETATM    9  N   UNL     1       1.459  -1.088   0.010  1.00  0.00           N  
HETATM   10  C   UNL     1       0.170  -1.090  -0.290  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.598  -2.184   0.064  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.981  -2.162  -0.137  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.654  -3.331  -0.470  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.021  -3.310  -0.669  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.723  -2.128  -0.538  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.056  -0.955  -0.206  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.767   0.240  -0.073  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.132   0.042  -0.315  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.898   1.383  -0.372  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.077   1.904   1.031  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.995   2.824   1.448  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.647   2.384   1.034  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.460   0.899   1.213  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.684  -0.974   0.001  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.410  -0.075  -0.919  1.00  0.00           N  
HETATM   26  C   UNL     1       0.279   0.993  -1.278  1.00  0.00           C  
HETATM   27  C   UNL     1       1.645   1.052  -0.982  1.00  0.00           C  
HETATM   28  C   UNL     1       2.429   2.193  -1.348  1.00  0.00           C  
HETATM   29  N   UNL     1       3.051   3.099  -1.638  1.00  0.00           N  
HETATM   30  S   UNL     1       4.809   1.240  -0.333  1.00  0.00           S  
HETATM   31  H   UNL     1       8.071  -0.290   2.179  1.00  0.00           H  
HETATM   32  H   UNL     1       8.438  -1.052   0.613  1.00  0.00           H  
HETATM   33  H   UNL     1       9.343   0.389   1.135  1.00  0.00           H  
HETATM   34  H   UNL     1       7.643   1.616   0.139  1.00  0.00           H  
HETATM   35  H   UNL     1       3.297  -2.176   2.138  1.00  0.00           H  
HETATM   36  H   UNL     1       2.836  -2.547   0.459  1.00  0.00           H  
HETATM   37  H   UNL     1       4.391  -3.125   1.103  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.176  -2.967   0.452  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.108  -4.257  -0.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.164  -0.065   0.264  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.542  -4.220  -0.928  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.792  -2.115  -0.694  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.254  -0.478  -1.265  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.549  -0.573   0.482  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.137   0.533   1.984  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.429   0.689   1.497  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.329   2.103  -0.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.874   1.226  -0.830  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.029   2.431   1.091  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.103   1.059   1.719  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.180   3.765   1.134  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.497   2.637  -0.015  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.903   2.910   1.634  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.206   1.811  -1.790  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3   34                                            
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   35   36   37                                       
CONECT    7    5    5    8   30                                       
CONECT    8    7    9   27   27                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   25                                       
CONECT   11   10   12   38                                            
CONECT   12   11   13   24   24                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17   24                                       
CONECT   17   16   18   23                                            
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   21   49   50                                       
CONECT   21   20   22   51                                            
CONECT   22   21   23   52   53                                       
CONECT   23   17   22   45   46                                       
CONECT   24   12   12   16   40                                       
CONECT   25   10   26   26                                            
CONECT   26   25   25   27   54                                       
CONECT   27    8    8   26   28                                       
CONECT   28   27   29   29   29                                       
CONECT   29   28   28   28                                            
CONECT   30    3    7                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   24                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
