COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.744  -1.112   0.084  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.923  -0.212   0.062  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.599  -0.482   0.038  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.158  -1.812   0.038  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.960  -2.479  -1.163  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.525  -3.790  -1.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.287  -4.438   0.038  1.00  0.00           C  
HETATM    8  C   UNL     1       0.186  -5.869   0.037  1.00  0.00           C  
HETATM    9  O   UNL     1       1.615  -5.898   0.013  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.483  -3.777   1.236  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.913  -2.464   1.239  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.688   0.537   0.014  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.053   1.799   0.014  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.347   2.147   0.037  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.003   3.338   0.043  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.378   4.662   0.023  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.379   3.081   0.072  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.583   1.794   0.084  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.332   1.145   0.056  1.00  0.00           C  
HETATM   20  S   UNL     1       1.030   0.145  -0.018  1.00  0.00           S  
HETATM   21  C   UNL     1       1.732   1.813  -0.042  1.00  0.00           C  
HETATM   22  C   UNL     1       1.342   2.512  -1.347  1.00  0.00           C  
HETATM   23  C   UNL     1       3.234   1.728   0.052  1.00  0.00           C  
HETATM   24  C   UNL     1       3.950   1.055  -0.919  1.00  0.00           C  
HETATM   25  C   UNL     1       5.328   0.981  -0.835  1.00  0.00           C  
HETATM   26  C   UNL     1       5.990   1.580   0.220  1.00  0.00           C  
HETATM   27  C   UNL     1       5.273   2.254   1.191  1.00  0.00           C  
HETATM   28  C   UNL     1       3.895   2.327   1.108  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.146  -1.974  -2.099  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.371  -4.310  -2.095  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.171  -6.371   0.937  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.202  -6.380  -0.843  1.00  0.00           H  
HETATM   33  H   UNL     1       1.991  -6.789   0.011  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.296  -4.286   2.170  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.062  -1.946   2.175  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.243   4.985  -1.010  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.016   5.374   0.545  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.407   4.614   0.517  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.547   1.307   0.106  1.00  0.00           H  
HETATM   40  H   UNL     1       1.347   2.382   0.804  1.00  0.00           H  
HETATM   41  H   UNL     1       1.765   3.516  -1.362  1.00  0.00           H  
HETATM   42  H   UNL     1       1.728   1.943  -2.193  1.00  0.00           H  
HETATM   43  H   UNL     1       0.256   2.573  -1.415  1.00  0.00           H  
HETATM   44  H   UNL     1       3.434   0.586  -1.744  1.00  0.00           H  
HETATM   45  H   UNL     1       5.888   0.454  -1.594  1.00  0.00           H  
HETATM   46  H   UNL     1       7.066   1.522   0.286  1.00  0.00           H  
HETATM   47  H   UNL     1       5.790   2.723   2.016  1.00  0.00           H  
HETATM   48  H   UNL     1       3.336   2.857   1.865  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   19    1    1                                       
CONECT    3   12    4    2                                            
CONECT    4    3    5    5   11                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6   10    8                                       
CONECT    8    7    9   31   32                                       
CONECT    9    8   33                                                 
CONECT   10   11   11    7   34                                       
CONECT   11    4   10   10   35                                       
CONECT   12   20   13   13    3                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   19   19                                       
CONECT   15   16   14   17                                            
CONECT   16   15   36   37   38                                       
CONECT   17   15   18   18                                            
CONECT   18   17   17   19   39                                       
CONECT   19   14   14   18    2                                       
CONECT   20   21   12                                                 
CONECT   21   23   22   20   40                                       
CONECT   22   21   41   42   43                                       
CONECT   23   24   24   28   21                                       
CONECT   24   25   23   23   44                                       
CONECT   25   26   26   24   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   23   48                                       
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
