COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.149  -2.453   0.815  1.00  0.00           N  
HETATM    2  C   UNL     1       1.770  -3.594   0.530  1.00  0.00           C  
HETATM    3  O   UNL     1       1.176  -4.637   0.742  1.00  0.00           O  
HETATM    4  N   UNL     1       3.009  -3.669   0.022  1.00  0.00           N  
HETATM    5  C   UNL     1       3.730  -2.554  -0.240  1.00  0.00           C  
HETATM    6  O   UNL     1       4.853  -2.619  -0.701  1.00  0.00           O  
HETATM    7  C   UNL     1       3.091  -1.252   0.057  1.00  0.00           C  
HETATM    8  N   UNL     1       3.697  -0.113  -0.158  1.00  0.00           N1+
HETATM    9  S   UNL     1       5.231  -0.106  -0.784  1.00  0.00           S  
HETATM   10  O   UNL     1       5.098  -0.296  -2.220  1.00  0.00           O1-
HETATM   11  O   UNL     1       5.812   1.186  -0.456  1.00  0.00           O  
HETATM   12  O   UNL     1       5.947  -1.203  -0.152  1.00  0.00           O  
HETATM   13  C   UNL     1       3.091   1.048   0.123  1.00  0.00           C  
HETATM   14  C   UNL     1       3.761   2.264  -0.116  1.00  0.00           C  
HETATM   15  C   UNL     1       3.147   3.446   0.168  1.00  0.00           C  
HETATM   16  C   UNL     1       3.870   4.742  -0.091  1.00  0.00           C  
HETATM   17  C   UNL     1       1.859   3.470   0.693  1.00  0.00           C  
HETATM   18  C   UNL     1       1.202   4.791   0.998  1.00  0.00           C  
HETATM   19  C   UNL     1       1.179   2.297   0.937  1.00  0.00           C  
HETATM   20  C   UNL     1       1.783   1.074   0.657  1.00  0.00           C  
HETATM   21  N   UNL     1       1.106  -0.103   0.899  1.00  0.00           N  
HETATM   22  C   UNL     1       1.728  -1.281   0.612  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.250  -0.087   1.453  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.267  -0.044   0.311  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.057   1.135  -0.470  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.683  -0.027   0.889  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.893  -1.206   1.669  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.700   0.016  -0.254  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.490   1.195  -1.034  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.116   0.033   0.325  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.067  -0.045  -0.740  1.00  0.00           O  
HETATM   32  P   UNL     1      -7.658  -0.051  -0.496  1.00  0.00           P  
HETATM   33  O   UNL     1      -8.040   1.138   0.299  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.418  -0.014  -1.915  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.074  -1.386   0.302  1.00  0.00           O  
HETATM   36  H   UNL     1       3.397  -4.539  -0.160  1.00  0.00           H  
HETATM   37  H   UNL     1       4.761   2.259  -0.524  1.00  0.00           H  
HETATM   38  H   UNL     1       3.656   5.082  -1.104  1.00  0.00           H  
HETATM   39  H   UNL     1       3.534   5.495   0.623  1.00  0.00           H  
HETATM   40  H   UNL     1       4.943   4.589   0.022  1.00  0.00           H  
HETATM   41  H   UNL     1       0.655   5.136   0.120  1.00  0.00           H  
HETATM   42  H   UNL     1       0.510   4.669   1.832  1.00  0.00           H  
HETATM   43  H   UNL     1       1.964   5.524   1.263  1.00  0.00           H  
HETATM   44  H   UNL     1       0.180   2.326   1.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.410  -0.986   2.048  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.375   0.794   2.084  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.142  -0.924  -0.320  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.152   1.959   0.028  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.808   0.853   1.520  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.798  -2.029   1.171  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.575  -0.864  -0.884  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.585   2.018  -0.536  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.247  -0.820   0.991  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.270   0.956   0.883  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.383  -0.016  -1.844  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.853  -2.205  -0.162  1.00  0.00           H  
CONECT    1    2   22   22                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   36                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   22                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   11   11                                       
CONECT    9   12   12                                                 
CONECT   10    9                                                      
CONECT   11    9    9                                                 
CONECT   12    9    9                                                 
CONECT   13    8   14   14   20                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   38   39   40                                       
CONECT   17   15   15   18   19                                       
CONECT   18   17   41   42   43                                       
CONECT   19   17   20   20   44                                       
CONECT   20   13   19   19   21                                       
CONECT   21   20   22   23                                            
CONECT   22    1    1    7   21                                       
CONECT   23   21   24   45   46                                       
CONECT   24   23   25   26   47                                       
CONECT   25   24   48                                                 
CONECT   26   24   27   28   49                                       
CONECT   27   26   50                                                 
CONECT   28   26   29   30   51                                       
CONECT   29   28   52                                                 
CONECT   30   28   31   53   54                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   55                                                 
CONECT   35   32   56                                                 
CONECT   36    4                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
