COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.899   2.716  -1.373  1.00  0.00           C  
HETATM    2  C   UNL     1       1.124   5.422   0.782  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.280  -4.357  -0.167  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.773  -1.036  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.550   0.711  -0.534  1.00  0.00           C  
HETATM    6  C   UNL     1       1.164   3.109   0.316  1.00  0.00           C  
HETATM    7  C   UNL     1       0.461   2.652   1.410  1.00  0.00           C  
HETATM    8  C   UNL     1       0.721   1.396   1.949  1.00  0.00           C  
HETATM    9  C   UNL     1       1.675   0.585   1.414  1.00  0.00           C  
HETATM   10  C   UNL     1       2.415   1.013   0.299  1.00  0.00           C  
HETATM   11  C   UNL     1       2.159   2.290  -0.259  1.00  0.00           C  
HETATM   12  C   UNL     1       3.406   0.197  -0.274  1.00  0.00           C  
HETATM   13  C   UNL     1       4.097   0.639  -1.360  1.00  0.00           C  
HETATM   14  C   UNL     1       3.848   1.898  -1.905  1.00  0.00           C  
HETATM   15  N   UNL     1       0.896   4.368  -0.216  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.472   4.434  -0.748  1.00  0.00           C  
HETATM   17  S   UNL     1       3.743  -1.394   0.402  1.00  0.00           S  
HETATM   18  O   UNL     1       4.732  -1.984  -0.431  1.00  0.00           O  
HETATM   19  O   UNL     1       3.916  -1.208   1.800  1.00  0.00           O  
HETATM   20  N   UNL     1       2.372  -2.305   0.218  1.00  0.00           N  
HETATM   21  C   UNL     1       1.883  -2.628  -1.124  1.00  0.00           C  
HETATM   22  C   UNL     1       0.878  -3.779  -1.037  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.274  -3.352  -0.307  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.195  -2.142   0.536  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.971  -0.394   0.352  1.00  0.00           C  
HETATM   26  H   UNL     1       2.714   3.687  -1.808  1.00  0.00           H  
HETATM   27  H   UNL     1       2.164   5.395   1.108  1.00  0.00           H  
HETATM   28  H   UNL     1       0.907   6.394   0.340  1.00  0.00           H  
HETATM   29  H   UNL     1       0.470   5.258   1.638  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.622  -4.669  -1.154  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.864  -5.215   0.361  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.010  -0.280  -0.531  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.095  -1.463  -1.300  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.787   1.468  -0.715  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.871   0.284  -1.484  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.301   3.276   1.854  1.00  0.00           H  
HETATM   37  H   UNL     1       0.157   1.059   2.807  1.00  0.00           H  
HETATM   38  H   UNL     1       1.862  -0.387   1.846  1.00  0.00           H  
HETATM   39  H   UNL     1       4.858   0.010  -1.799  1.00  0.00           H  
HETATM   40  H   UNL     1       4.417   2.228  -2.762  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.655   5.427  -1.158  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.592   3.689  -1.535  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.183   4.234   0.053  1.00  0.00           H  
HETATM   44  H   UNL     1       1.396  -1.753  -1.554  1.00  0.00           H  
HETATM   45  H   UNL     1       2.720  -2.925  -1.755  1.00  0.00           H  
HETATM   46  H   UNL     1       0.580  -4.079  -2.042  1.00  0.00           H  
HETATM   47  H   UNL     1       1.338  -4.625  -0.527  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.874  -1.715   1.486  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.958  -2.898   0.717  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.735  -1.151   0.534  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.650   0.032   1.302  1.00  0.00           H  
HETATM   52  C   UNL     1      -2.459  -3.792   0.627  1.00  0.00           C  
HETATM   53  O   UNL     1      -3.076  -2.741  -0.120  1.00  0.00           O  
HETATM   54  C   UNL     1      -7.748   1.353   0.168  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.326   2.458  -0.718  1.00  0.00           C  
HETATM   56  H   UNL     1       1.894  -2.625   0.999  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.186  -4.583   0.810  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.101  -3.399   1.579  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.511   0.596   0.350  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.426   1.780   1.118  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.648   2.031  -1.668  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.180   2.915  -0.217  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.563   3.215  -0.899  1.00  0.00           H  
CONECT    1   14   14   11   26                                       
CONECT    2   15   27   28   29                                       
CONECT    3   23   30   31   52                                       
CONECT    4   25   24   32   33                                       
CONECT    5   25   34   35   54                                       
CONECT    6   15   11   11    7                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10   11   12    9    9                                       
CONECT   11    1    6    6   10                                       
CONECT   12   13   13   10   17                                       
CONECT   13   14   12   12   39                                       
CONECT   14    1    1   13   40                                       
CONECT   15   16    2    6                                            
CONECT   16   15   41   42   43                                       
CONECT   17   12   20   19   19                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   56                                            
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   46   47                                       
CONECT   23   22    3                                                 
CONECT   24    4   48   49   53                                       
CONECT   25    5    4   50   51                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52    3   53   57   58                                       
CONECT   53   52   24                                                 
CONECT   54    5   55   59   60                                       
CONECT   55   54   61   62   63                                       
CONECT   56   20                                                      
CONECT   57   52                                                      
CONECT   58   52                                                      
CONECT   59   54                                                      
CONECT   60   54                                                      
CONECT   61   55                                                      
CONECT   62   55                                                      
CONECT   63   55                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
