COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.697   1.439   0.780  1.00  0.00           N  
HETATM    2  C   UNL     1       4.451   0.112   0.200  1.00  0.00           C  
HETATM    3  C   UNL     1       3.077   0.081  -0.417  1.00  0.00           C  
HETATM    4  O   UNL     1       2.519   1.118  -0.708  1.00  0.00           O  
HETATM    5  C   UNL     1       5.500  -0.177  -0.876  1.00  0.00           C  
HETATM    6  C   UNL     1       6.862  -0.268  -0.237  1.00  0.00           C  
HETATM    7  C   UNL     1       7.332  -1.485   0.220  1.00  0.00           C  
HETATM    8  C   UNL     1       7.644   0.865  -0.114  1.00  0.00           C  
HETATM    9  C   UNL     1       8.581  -1.568   0.805  1.00  0.00           C  
HETATM   10  C   UNL     1       8.894   0.782   0.471  1.00  0.00           C  
HETATM   11  C   UNL     1       9.361  -0.434   0.933  1.00  0.00           C  
HETATM   12  N   UNL     1       2.467  -1.099  -0.647  1.00  0.00           N  
HETATM   13  C   UNL     1       1.134  -1.274  -1.240  1.00  0.00           C  
HETATM   14  C   UNL     1       0.100  -0.580  -0.391  1.00  0.00           C  
HETATM   15  O   UNL     1       0.437   0.007   0.615  1.00  0.00           O  
HETATM   16  C   UNL     1       0.846  -2.790  -1.283  1.00  0.00           C  
HETATM   17  C   UNL     1       1.795  -3.354  -0.193  1.00  0.00           C  
HETATM   18  C   UNL     1       3.030  -2.429  -0.350  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.199  -0.612  -0.751  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.204   0.063   0.075  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -0.596  -0.142  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.525  -2.037   0.370  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.888  -2.696   0.153  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.847  -4.076   0.643  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.960  -4.867   0.554  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.081  -4.382   0.022  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.923  -6.121   0.999  1.00  0.00           N1+
HETATM   28  C   UNL     1      -2.280   1.517  -0.315  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.566   1.947  -1.196  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.143   2.339   0.315  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.218   3.752  -0.065  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.161   4.528   0.678  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.418   3.957   1.448  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.600   4.303   0.291  1.00  0.00           C  
HETATM   35  S   UNL     1      -5.872   3.369  -0.603  1.00  0.00           S  
HETATM   36  N   UNL     1      -2.040   5.857   0.486  1.00  0.00           N  
HETATM   37  H   UNL     1       4.643   2.158   0.074  1.00  0.00           H  
HETATM   38  H   UNL     1       4.057   1.627   1.537  1.00  0.00           H  
HETATM   39  H   UNL     1       4.515  -0.644   0.983  1.00  0.00           H  
HETATM   40  H   UNL     1       5.266  -1.122  -1.367  1.00  0.00           H  
HETATM   41  H   UNL     1       5.496   0.626  -1.612  1.00  0.00           H  
HETATM   42  H   UNL     1       6.722  -2.371   0.120  1.00  0.00           H  
HETATM   43  H   UNL     1       7.280   1.815  -0.476  1.00  0.00           H  
HETATM   44  H   UNL     1       8.948  -2.519   1.163  1.00  0.00           H  
HETATM   45  H   UNL     1       9.505   1.667   0.567  1.00  0.00           H  
HETATM   46  H   UNL     1      10.337  -0.499   1.391  1.00  0.00           H  
HETATM   47  H   UNL     1       1.120  -0.863  -2.250  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.195  -2.992  -1.031  1.00  0.00           H  
HETATM   49  H   UNL     1       1.094  -3.202  -2.261  1.00  0.00           H  
HETATM   50  H   UNL     1       1.353  -3.257   0.799  1.00  0.00           H  
HETATM   51  H   UNL     1       2.057  -4.391  -0.402  1.00  0.00           H  
HETATM   52  H   UNL     1       3.659  -2.767  -1.173  1.00  0.00           H  
HETATM   53  H   UNL     1       3.602  -2.400   0.578  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.468  -1.081  -1.556  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.924  -0.017   1.125  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.330  -0.039   0.403  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.807  -0.595  -1.205  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.762  -2.593  -0.175  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.286  -2.038   1.433  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.651  -2.139   0.698  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.128  -2.695  -0.910  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.031  -4.429   1.031  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.108  -3.468  -0.303  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.869  -4.943  -0.042  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.712  -6.682   0.936  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.107  -6.474   1.387  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.714   1.995   1.019  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.053   3.849  -1.138  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.764   4.206   1.365  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.655   5.355   0.009  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.015   3.953  -0.200  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.634   6.313  -0.130  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.360   6.356   0.965  1.00  0.00           H  
CONECT    1    2   37   38                                            
CONECT    2    1    3    5   39                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   40   41                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   42                                       
CONECT    8    6   10   10   43                                       
CONECT    9    7   11   11   44                                       
CONECT   10    8    8   11   45                                       
CONECT   11    9    9   10   46                                       
CONECT   12   13   18    3                                            
CONECT   13   12   14   16   47                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   12   17   52   53                                       
CONECT   19   20   54   14                                            
CONECT   20   19   21   28   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   21   23   58   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   62                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   63   64                                            
CONECT   27   25   25   65   66                                       
CONECT   28   20   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   31   67   28                                            
CONECT   31   30   32   34   68                                       
CONECT   32   31   33   33   36                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   69   70                                       
CONECT   35   34   71                                                 
CONECT   36   72   73   32                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
