COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.999  -6.234  -0.047  1.00  0.00           N  
HETATM    2  N   UNL     1       0.272   0.190   0.016  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.098  -0.002   0.025  1.00  0.00           C  
HETATM    4  C   UNL     1       1.173  -0.965   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       2.602  -0.487  -0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       3.266  -0.276   1.189  1.00  0.00           C  
HETATM    7  C   UNL     1       4.576   0.162   1.185  1.00  0.00           C  
HETATM    8  C   UNL     1       7.302   1.096  -1.125  1.00  0.00           C  
HETATM    9  C   UNL     1       4.558   0.177  -1.218  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.974   1.094   0.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.488   2.329   0.072  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.995   3.159  -1.119  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.357   0.847   0.047  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.266  -5.491  -0.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.977  -3.989  -0.013  1.00  0.00           C  
HETATM   16  S   UNL     1      -3.539  -3.074   0.010  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.925  -1.422   0.024  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.611  -1.227   0.015  1.00  0.00           N  
HETATM   19  C   UNL     1       5.226   0.391  -0.020  1.00  0.00           C  
HETATM   20  N   UNL     1       6.555   0.836  -0.027  1.00  0.00           N  
HETATM   21  C   UNL     1       8.523   1.501  -0.706  1.00  0.00           C  
HETATM   22  C   UNL     1       8.522   1.495   0.694  1.00  0.00           C  
HETATM   23  N   UNL     1       7.345   1.091   1.101  1.00  0.00           N  
HETATM   24  C   UNL     1       3.250  -0.266  -1.208  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.815   2.455   0.047  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.089   3.038   0.060  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.998   2.104   0.060  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.928   3.496   0.973  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.939   3.860  -0.129  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.788  -0.423   0.041  1.00  0.00           N  
HETATM   31  H   UNL     1      -0.415  -5.971   0.733  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.163  -7.229  -0.057  1.00  0.00           H  
HETATM   33  H   UNL     1       0.636   1.089   0.019  1.00  0.00           H  
HETATM   34  H   UNL     1       0.998  -1.574   0.889  1.00  0.00           H  
HETATM   35  H   UNL     1       0.985  -1.562  -0.891  1.00  0.00           H  
HETATM   36  H   UNL     1       2.759  -0.454   2.126  1.00  0.00           H  
HETATM   37  H   UNL     1       5.093   0.328   2.118  1.00  0.00           H  
HETATM   38  H   UNL     1       6.982   0.993  -2.151  1.00  0.00           H  
HETATM   39  H   UNL     1       5.061   0.354  -2.157  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.054   1.413   0.238  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.240   3.820  -1.544  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.513   2.567  -1.874  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.847  -5.740  -0.916  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.833  -5.761   0.863  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.397  -3.739   0.875  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.411  -3.719  -0.905  1.00  0.00           H  
HETATM   47  H   UNL     1       9.352   1.780  -1.339  1.00  0.00           H  
HETATM   48  H   UNL     1       9.352   1.769   1.328  1.00  0.00           H  
HETATM   49  H   UNL     1       2.730  -0.436  -2.139  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.970   2.930   0.044  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.392   3.176   1.906  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.153   4.248   1.122  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.033   4.932  -0.299  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.903   3.362  -0.017  1.00  0.00           H  
CONECT    1   14   31   32                                            
CONECT    2    3    4   33                                            
CONECT    3   10   10   18    2                                       
CONECT    4    2    5   34   35                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6   19   19   37                                       
CONECT    8   20   21   21   38                                       
CONECT    9   24   24   19   39                                       
CONECT   10   13   25    3    3                                       
CONECT   11   12   28   27   40                                       
CONECT   12   29   11   41   42                                       
CONECT   13   27   30   30   10                                       
CONECT   14    1   15   43   44                                       
CONECT   15   16   14   45   46                                       
CONECT   16   17   15                                                 
CONECT   17   30   16   18   18                                       
CONECT   18   17   17    3                                            
CONECT   19    7    7    9   20                                       
CONECT   20   19   23    8                                            
CONECT   21   22    8    8   47                                       
CONECT   22   23   23   21   48                                       
CONECT   23   20   22   22                                            
CONECT   24    5    9    9   49                                       
CONECT   25   26   10   50                                            
CONECT   26   27   27   25                                            
CONECT   27   11   26   26   13                                       
CONECT   28   29   11   51   52                                       
CONECT   29   12   28   53   54                                       
CONECT   30   13   13   17                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
