COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.894   0.692   0.922  1.00  0.00           C  
HETATM    2  C   UNL     1       3.603  -0.448   0.131  1.00  0.00           C  
HETATM    3  C   UNL     1       4.012   1.793   0.912  1.00  0.00           C  
HETATM    4  C   UNL     1       4.485   0.291  -0.910  1.00  0.00           C  
HETATM    5  C   UNL     1       4.574  -1.164   1.090  1.00  0.00           C  
HETATM    6  C   UNL     1       2.759   2.038  -1.130  1.00  0.00           C  
HETATM    7  C   UNL     1       5.949  -0.013  -0.533  1.00  0.00           C  
HETATM    8  C   UNL     1       5.872  -1.338   0.264  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.375   0.216   0.912  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.263  -0.480   0.008  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.139  -0.302  -1.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.307   0.372   1.096  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.061   0.728  -1.012  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.229   1.401   1.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.106   1.579   0.076  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.110   2.703   0.113  1.00  0.00           C  
HETATM   17  C   UNL     1       1.880   1.301  -0.094  1.00  0.00           C  
HETATM   18  N   UNL     1       1.106   0.240  -0.743  1.00  0.00           N  
HETATM   19  C   UNL     1       4.221   1.804  -0.643  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.010  -0.236  -0.156  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.721  -1.213  -0.753  1.00  0.00           N  
HETATM   22  S   UNL     1      -2.093  -1.797  -0.032  1.00  0.00           S  
HETATM   23  O   UNL     1      -1.750  -2.071   1.319  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.623  -2.778  -0.914  1.00  0.00           O  
HETATM   25  H   UNL     1       2.486   0.414   1.894  1.00  0.00           H  
HETATM   26  H   UNL     1       2.894  -1.131  -0.337  1.00  0.00           H  
HETATM   27  H   UNL     1       3.645   2.751   1.282  1.00  0.00           H  
HETATM   28  H   UNL     1       4.907   1.471   1.443  1.00  0.00           H  
HETATM   29  H   UNL     1       4.247   0.005  -1.935  1.00  0.00           H  
HETATM   30  H   UNL     1       4.762  -0.550   1.971  1.00  0.00           H  
HETATM   31  H   UNL     1       4.174  -2.136   1.380  1.00  0.00           H  
HETATM   32  H   UNL     1       2.615   1.611  -2.122  1.00  0.00           H  
HETATM   33  H   UNL     1       2.527   3.103  -1.138  1.00  0.00           H  
HETATM   34  H   UNL     1       6.554  -0.142  -1.430  1.00  0.00           H  
HETATM   35  H   UNL     1       6.355   0.784   0.090  1.00  0.00           H  
HETATM   36  H   UNL     1       6.736  -1.444   0.920  1.00  0.00           H  
HETATM   37  H   UNL     1       5.790  -2.190  -0.410  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.104  -0.967  -1.896  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.623   0.232   1.919  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.745   0.868  -1.836  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.264   2.066   1.980  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.030   2.352   0.580  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.704   3.534   0.689  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.321   3.034  -0.904  1.00  0.00           H  
HETATM   45  H   UNL     1       1.214   2.004   0.409  1.00  0.00           H  
HETATM   46  H   UNL     1       1.398  -0.121  -1.594  1.00  0.00           H  
HETATM   47  H   UNL     1       4.976   2.493  -1.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.430  -1.574  -1.605  1.00  0.00           H  
CONECT    1    2   17    3   25                                       
CONECT    2    1    4    5   26                                       
CONECT    3    1   19   27   28                                       
CONECT    4    2   19    7   29                                       
CONECT    5    2    8   30   31                                       
CONECT    6   17   19   32   33                                       
CONECT    7    4    8   34   35                                       
CONECT    8    5    7   36   37                                       
CONECT    9   20   20                                                 
CONECT   10   22   11   11   12                                       
CONECT   11   10   10   13   38                                       
CONECT   12   10   14   14   39                                       
CONECT   13   11   15   15   40                                       
CONECT   14   12   12   15   41                                       
CONECT   15   13   13   14   16                                       
CONECT   16   15   42   43   44                                       
CONECT   17    1    6   18   45                                       
CONECT   18   17   20   46                                            
CONECT   19    3    4    6   47                                       
CONECT   20   18   21    9    9                                       
CONECT   21   20   22   48                                            
CONECT   22   21   10   23   23                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
