COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.709   1.644  -2.391  1.00  0.00           S  
HETATM    2  O   UNL     1      -0.249   2.966  -2.149  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.821   1.296  -3.204  1.00  0.00           O  
HETATM    4  C   UNL     1       0.667   0.773  -3.063  1.00  0.00           C  
HETATM    5  C   UNL     1       0.520   0.045  -4.229  1.00  0.00           C  
HETATM    6  C   UNL     1       1.597  -0.637  -4.759  1.00  0.00           C  
HETATM    7  C   UNL     1       2.828  -0.593  -4.119  1.00  0.00           C  
HETATM    8  C   UNL     1       2.971   0.133  -2.946  1.00  0.00           C  
HETATM    9  C   UNL     1       1.892   0.820  -2.424  1.00  0.00           C  
HETATM   10  O   UNL     1       3.889  -1.264  -4.638  1.00  0.00           O  
HETATM   11  C   UNL     1       4.995  -1.026  -3.765  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.023   0.996  -0.899  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.891  -0.180  -0.762  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.116  -1.270  -0.002  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.536  -0.673   1.208  1.00  0.00           N  
HETATM   16  C   UNL     1       0.327   0.508   1.072  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.443   1.594   0.312  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.792  -1.199   2.422  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.507  -2.176   2.523  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.254  -0.643   3.524  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.529  -1.210   4.832  1.00  0.00           C  
HETATM   22  C   UNL     1       0.185  -0.408   5.888  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.442   0.671   6.480  1.00  0.00           C  
HETATM   24  C   UNL     1       0.214   1.407   7.449  1.00  0.00           C  
HETATM   25  C   UNL     1       1.498   1.062   7.826  1.00  0.00           C  
HETATM   26  C   UNL     1       2.126  -0.017   7.235  1.00  0.00           C  
HETATM   27  C   UNL     1       1.468  -0.755   6.270  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.273  -0.691  -2.128  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.563  -0.674  -2.517  1.00  0.00           N  
HETATM   30  O   UNL     1      -3.922  -1.154  -3.800  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.419  -1.118  -2.876  1.00  0.00           O  
HETATM   32  H   UNL     1      -0.437   0.011  -4.727  1.00  0.00           H  
HETATM   33  H   UNL     1       1.482  -1.206  -5.670  1.00  0.00           H  
HETATM   34  H   UNL     1       3.928   0.170  -2.447  1.00  0.00           H  
HETATM   35  H   UNL     1       2.004   1.390  -1.514  1.00  0.00           H  
HETATM   36  H   UNL     1       5.875  -1.547  -4.142  1.00  0.00           H  
HETATM   37  H   UNL     1       5.199   0.043  -3.720  1.00  0.00           H  
HETATM   38  H   UNL     1       4.756  -1.393  -2.767  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.791   0.083  -0.206  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.319  -1.663  -0.633  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.796  -2.074   0.275  1.00  0.00           H  
HETATM   42  H   UNL     1       1.226   0.241   0.517  1.00  0.00           H  
HETATM   43  H   UNL     1       0.600   0.877   2.061  1.00  0.00           H  
HETATM   44  H   UNL     1       0.236   2.398   0.033  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.240   1.987   0.943  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.602  -1.184   5.021  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.180  -2.242   4.861  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.446   0.940   6.185  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.276   2.251   7.911  1.00  0.00           H  
HETATM   50  H   UNL     1       2.011   1.638   8.583  1.00  0.00           H  
HETATM   51  H   UNL     1       3.130  -0.286   7.530  1.00  0.00           H  
HETATM   52  H   UNL     1       1.959  -1.599   5.808  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.246  -0.333  -1.919  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.881  -1.054  -3.878  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4   12                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   34                                       
CONECT    9    4    8    8   35                                       
CONECT   10    7   11                                                 
CONECT   11   10   36   37   38                                       
CONECT   12    1   13   17                                            
CONECT   13   12   14   28   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   18                                            
CONECT   16   15   17   42   43                                       
CONECT   17   12   16   44   45                                       
CONECT   18   15   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   46   47                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   27   51                                       
CONECT   27   22   26   26   52                                       
CONECT   28   13   29   31   31                                       
CONECT   29   28   30   53                                            
CONECT   30   29   54                                                 
CONECT   31   28   28                                                 
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
