COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.500   2.193  -0.350  1.00  0.00           C  
HETATM    2  C   UNL     1       5.766   0.384  -0.292  1.00  0.00           C  
HETATM    3  C   UNL     1       3.593  -1.601   0.426  1.00  0.00           C  
HETATM    4  C   UNL     1       6.266  -0.764   0.590  1.00  0.00           C  
HETATM    5  C   UNL     1       3.446  -0.343  -0.435  1.00  0.00           C  
HETATM    6  C   UNL     1       3.990   2.013  -0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       1.974   2.747   0.803  1.00  0.00           C  
HETATM    8  C   UNL     1       0.610   2.914   0.933  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.239   2.523  -0.104  1.00  0.00           C  
HETATM   10  C   UNL     1       0.299   1.965  -1.265  1.00  0.00           C  
HETATM   11  C   UNL     1       1.664   1.808  -1.383  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.700   2.699   0.027  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.229   3.956   0.110  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.611   4.128   0.235  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.428   3.036   0.273  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.869   1.749   0.187  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.442  -0.379   0.072  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.885  -2.266   0.150  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.098  -3.758   0.120  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.535  -4.269   0.242  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.806  -4.346  -1.102  1.00  0.00           C  
HETATM   22  O   UNL     1       5.520  -3.213   1.243  1.00  0.00           O  
HETATM   23  S   UNL     1       5.280  -2.249   0.228  1.00  0.00           S  
HETATM   24  O   UNL     1       5.475  -2.604  -1.134  1.00  0.00           O  
HETATM   25  N   UNL     1       4.372   0.692   0.033  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.517   1.603   0.060  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.273   0.224  -0.007  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.639  -1.761   0.045  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.833  -1.520   0.269  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.403   0.531   0.198  1.00  0.00           N  
HETATM   31  H   UNL     1       6.382   1.267  -0.121  1.00  0.00           H  
HETATM   32  H   UNL     1       5.837   0.091  -1.340  1.00  0.00           H  
HETATM   33  H   UNL     1       3.417  -1.352   1.472  1.00  0.00           H  
HETATM   34  H   UNL     1       2.873  -2.352   0.101  1.00  0.00           H  
HETATM   35  H   UNL     1       7.316  -0.961   0.373  1.00  0.00           H  
HETATM   36  H   UNL     1       6.154  -0.494   1.640  1.00  0.00           H  
HETATM   37  H   UNL     1       3.670  -0.586  -1.473  1.00  0.00           H  
HETATM   38  H   UNL     1       2.424   0.028  -0.363  1.00  0.00           H  
HETATM   39  H   UNL     1       4.272   2.088  -1.534  1.00  0.00           H  
HETATM   40  H   UNL     1       4.502   2.788   0.086  1.00  0.00           H  
HETATM   41  H   UNL     1       2.632   3.049   1.605  1.00  0.00           H  
HETATM   42  H   UNL     1       0.201   3.347   1.834  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.353   1.660  -2.071  1.00  0.00           H  
HETATM   44  H   UNL     1       2.081   1.376  -2.281  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.579   4.818   0.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.030   5.121   0.301  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.496   3.160   0.370  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.311  -4.354   0.581  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.693  -5.202   0.783  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.326  -3.526   0.344  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.118  -3.654  -1.884  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.485  -5.330  -1.444  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.880  -2.358  -0.050  1.00  0.00           H  
CONECT    1    6   11   11    7                                       
CONECT    2    4   25   31   32                                       
CONECT    3   23    5   33   34                                       
CONECT    4   23    2   35   36                                       
CONECT    5    3   25   37   38                                       
CONECT    6   25    1   39   40                                       
CONECT    7    1    8    8   41                                       
CONECT    8    7    7    9   42                                       
CONECT    9   10   10    8   12                                       
CONECT   10   11    9    9   43                                       
CONECT   11    1    1   10   44                                       
CONECT   12    9   13   13   26                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   26   15   30   30                                       
CONECT   17   27   27   28   30                                       
CONECT   18   29   29   19   28                                       
CONECT   19   21   18   20   48                                       
CONECT   20   21   19   49   50                                       
CONECT   21   20   19   51   52                                       
CONECT   22   23   23                                                 
CONECT   23   24   24    3   22                                       
CONECT   23   22    4                                                 
CONECT   24   23   23                                                 
CONECT   25    5    2    6                                            
CONECT   26   12   27   16                                            
CONECT   27   26   17   17                                            
CONECT   28   18   17   53                                            
CONECT   29   18   18                                                 
CONECT   30   17   16   16                                            
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
