COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.831   0.973   0.647  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.934   0.171   0.405  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.626  -0.434   1.464  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.483  -1.443   1.193  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.116  -1.961   2.089  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.651  -1.922  -0.226  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.452  -0.830  -1.128  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.368  -0.041  -0.903  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.695   0.552  -1.957  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.594   1.352  -1.709  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.163   1.561  -0.412  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.963   2.434  -0.151  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.750   1.612  -0.161  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.548   2.182   0.052  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.469   3.379   0.252  1.00  0.00           O  
HETATM   16  C   UNL     1       0.678   1.352   0.042  1.00  0.00           C  
HETATM   17  N   UNL     1       0.567   0.070  -0.175  1.00  0.00           N  
HETATM   18  N   UNL     1       1.887   1.957   0.255  1.00  0.00           N  
HETATM   19  C   UNL     1       3.020   1.225   0.252  1.00  0.00           C  
HETATM   20  O   UNL     1       4.105   1.748   0.440  1.00  0.00           O  
HETATM   21  C   UNL     1       2.908  -0.230   0.013  1.00  0.00           C  
HETATM   22  C   UNL     1       3.927  -1.201  -0.039  1.00  0.00           C  
HETATM   23  C   UNL     1       1.633  -0.748  -0.199  1.00  0.00           C  
HETATM   24  S   UNL     1       1.750  -2.481  -0.466  1.00  0.00           S  
HETATM   25  C   UNL     1       3.497  -2.447  -0.278  1.00  0.00           C  
HETATM   26  C   UNL     1       4.398  -3.664  -0.382  1.00  0.00           C  
HETATM   27  C   UNL     1       5.760  -3.320   0.226  1.00  0.00           C  
HETATM   28  C   UNL     1       6.254  -2.000  -0.375  1.00  0.00           C  
HETATM   29  C   UNL     1       5.397  -0.853   0.162  1.00  0.00           C  
HETATM   30  C   UNL     1       5.729   0.433  -0.597  1.00  0.00           C  
HETATM   31  C   UNL     1       6.442   1.391   0.323  1.00  0.00           C  
HETATM   32  O   UNL     1       6.663   1.075   1.473  1.00  0.00           O  
HETATM   33  N   UNL     1       6.833   2.597  -0.133  1.00  0.00           N  
HETATM   34  H   UNL     1      -4.496   1.142   1.660  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.491  -0.134   2.376  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.919  -2.703  -0.434  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.656  -2.323  -0.358  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.028   0.389  -2.971  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.069   1.814  -2.531  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.892   3.196  -0.927  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.068   2.915   0.822  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.813   0.657  -0.320  1.00  0.00           H  
HETATM   43  H   UNL     1       1.929   2.914   0.409  1.00  0.00           H  
HETATM   44  H   UNL     1       3.953  -4.495   0.164  1.00  0.00           H  
HETATM   45  H   UNL     1       4.523  -3.937  -1.429  1.00  0.00           H  
HETATM   46  H   UNL     1       5.662  -3.216   1.306  1.00  0.00           H  
HETATM   47  H   UNL     1       6.472  -4.114  -0.002  1.00  0.00           H  
HETATM   48  H   UNL     1       7.295  -1.840  -0.094  1.00  0.00           H  
HETATM   49  H   UNL     1       6.170  -2.040  -1.461  1.00  0.00           H  
HETATM   50  H   UNL     1       5.597  -0.714   1.225  1.00  0.00           H  
HETATM   51  H   UNL     1       6.371   0.199  -1.446  1.00  0.00           H  
HETATM   52  H   UNL     1       4.807   0.892  -0.955  1.00  0.00           H  
HETATM   53  H   UNL     1       6.656   2.849  -1.052  1.00  0.00           H  
HETATM   54  H   UNL     1       7.293   3.213   0.459  1.00  0.00           H  
CONECT    1    2    2   11   34                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   35                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   36   37                                       
CONECT    7    6    8                                                 
CONECT    8    2    7    9    9                                       
CONECT    9    8    8   10   38                                       
CONECT   10    9   11   11   39                                       
CONECT   11    1   10   10   12                                       
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   42                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   17   18                                       
CONECT   17   16   16   23                                            
CONECT   18   16   19   43                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   23   23                                       
CONECT   22   21   25   25   29                                       
CONECT   23   17   21   21   24                                       
CONECT   24   23   25                                                 
CONECT   25   22   22   24   26                                       
CONECT   26   25   27   44   45                                       
CONECT   27   26   28   46   47                                       
CONECT   28   27   29   48   49                                       
CONECT   29   22   28   30   50                                       
CONECT   30   29   31   51   52                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   53   54                                            
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   18                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
