COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.109  -1.099   0.384  1.00  0.00           C  
HETATM    2  C   UNL     1       5.341  -3.733  -0.435  1.00  0.00           C  
HETATM    3  C   UNL     1       4.940  -3.448   0.857  1.00  0.00           C  
HETATM    4  N   UNL     1       2.677   1.135   1.090  1.00  0.00           N  
HETATM    5  C   UNL     1       5.797  -0.308  -1.921  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.357  -2.139   0.567  1.00  0.00           N  
HETATM    7  C   UNL     1       5.620  -2.705  -1.311  1.00  0.00           C  
HETATM    8  O   UNL     1       1.272  -0.550   1.440  1.00  0.00           O  
HETATM    9  C   UNL     1       1.455   0.572   1.008  1.00  0.00           C  
HETATM   10  C   UNL     1       3.782   0.471   1.793  1.00  0.00           C  
HETATM   11  C   UNL     1       4.983   0.316   0.883  1.00  0.00           C  
HETATM   12  C   UNL     1       4.825  -2.134   1.263  1.00  0.00           C  
HETATM   13  C   UNL     1       5.501  -1.381  -0.907  1.00  0.00           C  
HETATM   14  C   UNL     1       6.082   1.030  -1.240  1.00  0.00           C  
HETATM   15  N   UNL     1       5.027   1.251  -0.227  1.00  0.00           N  
HETATM   16  C   UNL     1       2.965   2.444   0.478  1.00  0.00           C  
HETATM   17  C   UNL     1       4.174   2.268  -0.406  1.00  0.00           C  
HETATM   18  O   UNL     1       4.378   3.065  -1.298  1.00  0.00           O  
HETATM   19  N   UNL     1       0.436   1.252   0.446  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.915   0.687   0.454  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.876   1.652  -0.242  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.266   1.070  -0.233  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.684   0.262  -1.274  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.959  -0.272  -1.266  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.816   0.002  -0.217  1.00  0.00           C  
HETATM   26  S   UNL     1      -7.442  -0.678  -0.208  1.00  0.00           S  
HETATM   27  O   UNL     1      -7.767  -0.960  -1.562  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.227   0.170   0.619  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.399   0.810   0.824  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.122   1.340   0.818  1.00  0.00           C  
HETATM   31  H   UNL     1       5.437  -4.759  -0.758  1.00  0.00           H  
HETATM   32  H   UNL     1       4.718  -4.249   1.545  1.00  0.00           H  
HETATM   33  H   UNL     1       6.666  -0.601  -2.509  1.00  0.00           H  
HETATM   34  H   UNL     1       4.938  -0.195  -2.582  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.124  -2.472   1.059  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.541  -2.662   0.528  1.00  0.00           H  
HETATM   37  H   UNL     1       5.934  -2.931  -2.319  1.00  0.00           H  
HETATM   38  H   UNL     1       4.064   1.067   2.661  1.00  0.00           H  
HETATM   39  H   UNL     1       3.455  -0.514   2.125  1.00  0.00           H  
HETATM   40  H   UNL     1       5.862   0.512   1.497  1.00  0.00           H  
HETATM   41  H   UNL     1       4.511  -1.910   2.272  1.00  0.00           H  
HETATM   42  H   UNL     1       7.058   0.999  -0.757  1.00  0.00           H  
HETATM   43  H   UNL     1       6.060   1.833  -1.978  1.00  0.00           H  
HETATM   44  H   UNL     1       2.113   2.770  -0.119  1.00  0.00           H  
HETATM   45  H   UNL     1       3.176   3.179   1.255  1.00  0.00           H  
HETATM   46  H   UNL     1       0.598   2.117   0.036  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.913  -0.267  -0.074  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.238   0.531   1.484  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.879   2.606   0.286  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.554   1.808  -1.271  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.013   0.047  -2.093  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.285  -0.903  -2.080  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.069   1.024   1.643  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.795   1.969   1.633  1.00  0.00           H  
CONECT    1   12   13   13   11                                       
CONECT    2    3    7    7   31                                       
CONECT    3    2   12   12   32                                       
CONECT    4   10   16    9                                            
CONECT    5   13   14   33   34                                       
CONECT    6   26   35   36                                            
CONECT    7    2    2   13   37                                       
CONECT    8    9    9                                                 
CONECT    9    4    8    8   19                                       
CONECT   10   11    4   38   39                                       
CONECT   11    1   15   10   40                                       
CONECT   12    3    3    1   41                                       
CONECT   13    7    1    1    5                                       
CONECT   14    5   15   42   43                                       
CONECT   15   11   14   17                                            
CONECT   16   17    4   44   45                                       
CONECT   17   15   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19    9   20   46                                            
CONECT   20   19   21   47   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   21   30   30   23                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25   52                                       
CONECT   25   29   29   24   26                                       
CONECT   26   25    6   28   28                                       
CONECT   26   27   27                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   30   25   25   53                                       
CONECT   30   22   22   29   54                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
