COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.458   1.875  -0.401  1.00  0.00           C  
HETATM    2  N   UNL     1       6.474   1.606   1.045  1.00  0.00           N  
HETATM    3  C   UNL     1       7.743   1.461   1.449  1.00  0.00           C  
HETATM    4  O   UNL     1       8.050   1.230   2.603  1.00  0.00           O  
HETATM    5  N   UNL     1       8.644   1.592   0.466  1.00  0.00           N  
HETATM    6  C   UNL     1       7.940   1.865  -0.797  1.00  0.00           C  
HETATM    7  C   UNL     1       8.269   0.753  -1.812  1.00  0.00           C  
HETATM    8  S   UNL     1       6.942  -0.482  -1.504  1.00  0.00           S  
HETATM    9  C   UNL     1       5.653   0.771  -1.114  1.00  0.00           C  
HETATM   10  C   UNL     1       4.592   0.185  -0.181  1.00  0.00           C  
HETATM   11  C   UNL     1       3.731  -0.817  -0.952  1.00  0.00           C  
HETATM   12  C   UNL     1       2.670  -1.403  -0.019  1.00  0.00           C  
HETATM   13  C   UNL     1       1.809  -2.405  -0.790  1.00  0.00           C  
HETATM   14  C   UNL     1       0.763  -2.982   0.130  1.00  0.00           C  
HETATM   15  O   UNL     1       0.713  -2.627   1.288  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.115  -3.892  -0.336  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.263  -4.527   0.675  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.043  -5.417  -0.112  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.581  -4.927   1.856  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.188  -3.387   1.078  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.096  -2.984   0.051  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.971  -1.839   0.564  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.185  -0.638   0.724  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.045  -1.471  -0.484  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.293  -2.088  -0.161  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.158   0.066  -0.382  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.139   0.445   0.716  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.475   1.708   0.381  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.311   1.847  -0.314  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.010   3.108  -0.430  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.960   3.856   0.181  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.914   2.967   0.704  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.964   3.456   1.355  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.114   4.755   1.507  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.246   5.629   1.031  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.160   5.233   0.374  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.257   6.156  -0.122  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.090   0.382  -3.468  1.00  0.00           N1-
HETATM   39  N   UNL     1      -5.443   0.538  -2.562  1.00  0.00           N1+
HETATM   40  H   UNL     1       6.020   2.852  -0.604  1.00  0.00           H  
HETATM   41  H   UNL     1       5.691   1.545   1.615  1.00  0.00           H  
HETATM   42  H   UNL     1       9.606   1.520   0.570  1.00  0.00           H  
HETATM   43  H   UNL     1       8.233   2.839  -1.189  1.00  0.00           H  
HETATM   44  H   UNL     1       8.215   1.133  -2.832  1.00  0.00           H  
HETATM   45  H   UNL     1       9.252   0.326  -1.612  1.00  0.00           H  
HETATM   46  H   UNL     1       5.197   1.153  -2.027  1.00  0.00           H  
HETATM   47  H   UNL     1       5.081  -0.321   0.652  1.00  0.00           H  
HETATM   48  H   UNL     1       3.961   0.988   0.202  1.00  0.00           H  
HETATM   49  H   UNL     1       3.243  -0.311  -1.785  1.00  0.00           H  
HETATM   50  H   UNL     1       4.362  -1.620  -1.334  1.00  0.00           H  
HETATM   51  H   UNL     1       3.158  -1.909   0.814  1.00  0.00           H  
HETATM   52  H   UNL     1       2.039  -0.600   0.364  1.00  0.00           H  
HETATM   53  H   UNL     1       1.320  -1.898  -1.623  1.00  0.00           H  
HETATM   54  H   UNL     1       2.439  -3.207  -1.173  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.074  -4.176  -1.262  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.534  -2.650  -0.821  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.728  -3.828  -0.226  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.442  -2.115   1.508  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.720  -1.765  -1.483  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.003  -1.890  -0.787  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.166   0.356  -0.085  1.00  0.00           H  
HETATM   62  N   UNL     1      -4.797   0.693  -1.656  1.00  0.00           N  
HETATM   63  H   UNL     1      -4.635   0.522   1.683  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.724   1.031  -0.709  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.979   5.120   2.041  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.474   5.856  -0.609  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.406   7.105   0.018  1.00  0.00           H  
CONECT    1    2    9    6   40                                       
CONECT    2    1    3   41                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   42                                            
CONECT    6    1    5    7   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    9    7                                                 
CONECT    9   10    1    8   46                                       
CONECT   10   11    9   47   48                                       
CONECT   11   12   10   49   50                                       
CONECT   12   13   11   51   52                                       
CONECT   13   14   12   53   54                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   55                                            
CONECT   17   18   18   19   19                                       
CONECT   17   20   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   56   57                                       
CONECT   22   21   24   23   58                                       
CONECT   23   22   27                                                 
CONECT   24   25   22   26   59                                       
CONECT   25   24   60                                                 
CONECT   26   24   27   61   62                                       
CONECT   27   23   26   28   63                                       
CONECT   28   27   32   29                                            
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   31                                            
CONECT   31   32   30   36   36                                       
CONECT   32   28   33   33   31                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   35   65                                       
CONECT   35   34   34   36                                            
CONECT   36   31   31   35   37                                       
CONECT   37   36   66   67                                            
CONECT   38   39   39                                                 
CONECT   39   38   38   62   62                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26   39   39                                            
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   34                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
