COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.572  -3.092  -0.500  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.752  -1.714  -0.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.903  -2.815  -0.433  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.489  -4.071  -0.664  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.931  -0.629  -0.028  1.00  0.00           N  
HETATM    6  N   UNL     1      -1.957   6.208  -2.079  1.00  0.00           N1-
HETATM    7  N   UNL     1      -2.048   5.133  -1.765  1.00  0.00           N1+
HETATM    8  N   UNL     1      -2.139   4.058  -1.451  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.358   3.723  -0.041  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.674   2.956   0.102  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.568   1.678  -0.545  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.967   2.693   1.592  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.204   3.298   1.973  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.065   1.151   1.692  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.137   0.763   2.554  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.360   0.748   0.225  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.067  -1.897  -0.275  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.815  -4.157  -0.687  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.702  -5.193  -0.867  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.628  -2.363  -0.342  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.639  -1.074  -0.104  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.206  -0.067   0.091  1.00  0.00           S  
HETATM   23  C   UNL     1       0.087  -1.313  -0.132  1.00  0.00           C  
HETATM   24  C   UNL     1       1.440  -0.661  -0.004  1.00  0.00           C  
HETATM   25  O   UNL     1       1.521   0.529   0.216  1.00  0.00           O  
HETATM   26  N   UNL     1       2.559  -1.400  -0.135  1.00  0.00           N  
HETATM   27  C   UNL     1       3.874  -0.767  -0.010  1.00  0.00           C  
HETATM   28  C   UNL     1       4.968  -1.820  -0.199  1.00  0.00           C  
HETATM   29  C   UNL     1       6.321  -1.168  -0.071  1.00  0.00           C  
HETATM   30  N   UNL     1       7.297  -1.562   0.791  1.00  0.00           N  
HETATM   31  C   UNL     1       8.374  -0.719   0.604  1.00  0.00           C  
HETATM   32  C   UNL     1       9.635  -0.620   1.176  1.00  0.00           C  
HETATM   33  C   UNL     1      10.501   0.366   0.752  1.00  0.00           C  
HETATM   34  C   UNL     1      10.121   1.258  -0.240  1.00  0.00           C  
HETATM   35  C   UNL     1       8.884   1.176  -0.814  1.00  0.00           C  
HETATM   36  C   UNL     1       7.990   0.185  -0.401  1.00  0.00           C  
HETATM   37  N   UNL     1       6.727  -0.150  -0.772  1.00  0.00           N  
HETATM   38  H   UNL     1      -7.646  -3.206  -0.527  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.536   3.103   0.317  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.405   4.639   0.547  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.487   3.530  -0.342  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.153   3.067   2.213  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.219   4.260   1.874  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.121   0.723   2.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.041   1.071   3.465  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.420   0.868   0.000  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.735  -5.117  -0.851  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.118  -6.055  -1.025  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.017  -2.085   0.629  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.007  -1.762  -1.121  1.00  0.00           H  
HETATM   51  H   UNL     1       2.494  -2.352  -0.311  1.00  0.00           H  
HETATM   52  H   UNL     1       3.979   0.006  -0.772  1.00  0.00           H  
HETATM   53  H   UNL     1       3.969  -0.317   0.978  1.00  0.00           H  
HETATM   54  H   UNL     1       4.863  -2.593   0.563  1.00  0.00           H  
HETATM   55  H   UNL     1       4.873  -2.269  -1.188  1.00  0.00           H  
HETATM   56  H   UNL     1       7.246  -2.299   1.420  1.00  0.00           H  
HETATM   57  H   UNL     1       9.936  -1.311   1.949  1.00  0.00           H  
HETATM   58  H   UNL     1      11.483   0.444   1.197  1.00  0.00           H  
HETATM   59  H   UNL     1      10.810   2.025  -0.561  1.00  0.00           H  
HETATM   60  H   UNL     1       8.598   1.875  -1.585  1.00  0.00           H  
CONECT    1   17   17   18   38                                       
CONECT    2    5    3    3   17                                       
CONECT    3   20    2    2    4                                       
CONECT    4    3   19   18   18                                       
CONECT    5   21   16    2                                            
CONECT    6    7    7                                                 
CONECT    7    6    6    8    8                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   39   40                                       
CONECT   10    9   12   11   41                                       
CONECT   11   10   16                                                 
CONECT   12   10   13   14   42                                       
CONECT   13   12   43                                                 
CONECT   14   12   16   15   44                                       
CONECT   15   14   45                                                 
CONECT   16   11   14    5   46                                       
CONECT   17    2    1    1                                            
CONECT   18    4    4    1                                            
CONECT   19    4   47   48                                            
CONECT   20   21   21    3                                            
CONECT   21   22   20   20    5                                       
CONECT   22   23   21                                                 
CONECT   23   24   22   49   50                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   51                                            
CONECT   27   28   26   52   53                                       
CONECT   28   27   29   54   55                                       
CONECT   29   28   37   37   30                                       
CONECT   30   29   31   56                                            
CONECT   31   36   30   32   32                                       
CONECT   32   31   31   33   57                                       
CONECT   33   34   34   32   58                                       
CONECT   34   35   33   33   59                                       
CONECT   35   36   36   34   60                                       
CONECT   36   37   35   35   31                                       
CONECT   37   29   29   36                                            
CONECT   38    1                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
