COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.668   3.618  -0.449  1.00  0.00           C  
HETATM    2  O   UNL     1       4.347   2.508  -1.040  1.00  0.00           O  
HETATM    3  C   UNL     1       4.163   1.292  -0.460  1.00  0.00           C  
HETATM    4  C   UNL     1       3.342   1.169   0.650  1.00  0.00           C  
HETATM    5  C   UNL     1       4.794   0.169  -0.983  1.00  0.00           C  
HETATM    6  O   UNL     1       5.597   0.284  -2.075  1.00  0.00           O  
HETATM    7  C   UNL     1       6.981   0.548  -1.838  1.00  0.00           C  
HETATM    8  C   UNL     1       4.603  -1.072  -0.386  1.00  0.00           C  
HETATM    9  O   UNL     1       5.218  -2.173  -0.893  1.00  0.00           O  
HETATM   10  C   UNL     1       4.976  -3.415  -0.229  1.00  0.00           C  
HETATM   11  C   UNL     1       3.784  -1.185   0.728  1.00  0.00           C  
HETATM   12  C   UNL     1       3.154  -0.067   1.241  1.00  0.00           C  
HETATM   13  C   UNL     1       2.261  -0.195   2.447  1.00  0.00           C  
HETATM   14  N   UNL     1       0.888  -0.467   2.012  1.00  0.00           N1+
HETATM   15  C   UNL     1       0.089   0.549   1.783  1.00  0.00           C  
HETATM   16  C   UNL     1       0.508  -1.728   1.861  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.750  -2.057   1.458  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.668  -1.022   1.198  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.981  -1.278   0.780  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.231   0.319   1.364  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.124   1.373   1.107  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.396   1.093   0.702  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.259   2.113   0.453  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.765   3.441   0.636  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.827  -0.233   0.542  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.101  -0.480   0.138  1.00  0.00           O  
HETATM   27  S   UNL     1      -5.264  -0.569  -1.373  1.00  0.00           S  
HETATM   28  O   UNL     1      -6.661  -0.626  -1.623  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.416   0.428  -1.927  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.643  -2.029  -1.848  1.00  0.00           N  
HETATM   31  H   UNL     1       3.901   4.525  -1.008  1.00  0.00           H  
HETATM   32  H   UNL     1       2.593   3.441  -0.475  1.00  0.00           H  
HETATM   33  H   UNL     1       3.993   3.734   0.584  1.00  0.00           H  
HETATM   34  H   UNL     1       2.848   2.041   1.055  1.00  0.00           H  
HETATM   35  H   UNL     1       7.084   1.490  -1.299  1.00  0.00           H  
HETATM   36  H   UNL     1       7.409  -0.259  -1.244  1.00  0.00           H  
HETATM   37  H   UNL     1       7.506   0.616  -2.791  1.00  0.00           H  
HETATM   38  H   UNL     1       5.309  -3.345   0.806  1.00  0.00           H  
HETATM   39  H   UNL     1       3.909  -3.638  -0.253  1.00  0.00           H  
HETATM   40  H   UNL     1       5.525  -4.210  -0.734  1.00  0.00           H  
HETATM   41  H   UNL     1       3.635  -2.148   1.192  1.00  0.00           H  
HETATM   42  H   UNL     1       2.612  -1.014   3.074  1.00  0.00           H  
HETATM   43  H   UNL     1       2.284   0.734   3.017  1.00  0.00           H  
HETATM   44  H   UNL     1       0.445   1.559   1.917  1.00  0.00           H  
HETATM   45  H   UNL     1       1.218  -2.518   2.062  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.039  -3.091   1.341  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.321  -2.294   0.647  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.804   2.397   1.226  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.448   3.572   1.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.916   3.608  -0.027  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.553   4.158   0.404  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.269  -2.634  -1.189  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.653  -2.278  -2.786  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   12   34                                       
CONECT    5    3    6    8    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   35   36   37                                       
CONECT    8    5    5   11    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   38   39   40                                       
CONECT   11   12   12    8   41                                       
CONECT   12    4   13   11   11                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   20   44                                       
CONECT   16   14   17   17   45                                       
CONECT   17   18   16   16   46                                       
CONECT   18   20   20   17   19                                       
CONECT   19   25   25   18   47                                       
CONECT   20   21   15   18   18                                       
CONECT   21   22   22   20   48                                       
CONECT   22   21   21   23   25                                       
CONECT   23   24   22                                                 
CONECT   24   23   49   50   51                                       
CONECT   25   22   26   19   19                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   30                                       
CONECT   27   29   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   52   53                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
