COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.439   1.096  -0.405  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.003  -0.232   0.047  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.508  -0.400  -0.228  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.084  -1.691   0.212  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.785  -1.309  -0.707  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.244  -1.222  -0.340  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.095  -0.417  -1.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.733  -1.950   0.729  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.433  -0.336  -0.738  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.071  -1.869   1.066  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.920  -1.061   0.334  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.726   0.678   0.526  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.312   0.624   0.131  1.00  0.00           N  
HETATM   14  C   UNL     1       0.382   1.867   0.491  1.00  0.00           C  
HETATM   15  C   UNL     1       1.809   1.835  -0.063  1.00  0.00           C  
HETATM   16  C   UNL     1       2.549   0.627   0.518  1.00  0.00           C  
HETATM   17  C   UNL     1       1.779  -0.650   0.170  1.00  0.00           C  
HETATM   18  C   UNL     1       0.354  -0.546   0.717  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357   3.043  -0.094  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.993   2.911  -1.112  1.00  0.00           O  
HETATM   21  N   UNL     1       8.676  -0.537   0.426  1.00  0.00           N  
HETATM   22  C   UNL     1       7.437  -0.366   0.842  1.00  0.00           C  
HETATM   23  C   UNL     1       6.389  -1.035   0.237  1.00  0.00           C  
HETATM   24  C   UNL     1       6.656  -1.894  -0.819  1.00  0.00           C  
HETATM   25  C   UNL     1       7.972  -2.048  -1.227  1.00  0.00           C  
HETATM   26  C   UNL     1       8.967  -1.346  -0.574  1.00  0.00           C  
HETATM   27  C   UNL     1       4.976  -0.834   0.718  1.00  0.00           C  
HETATM   28  S   UNL     1       4.217   0.541  -0.190  1.00  0.00           S  
HETATM   29  H   UNL     1      -4.277   1.212  -1.394  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.189  -0.330   1.117  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.322  -0.301  -1.298  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.220  -1.849   1.156  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.671  -1.157  -1.780  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.401  -2.293  -0.437  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.714   0.149  -1.912  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.069  -2.582   1.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.097   0.293  -1.311  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.453  -2.438   1.900  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.966  -0.998   0.598  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.134   1.659   0.284  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.810   0.504   1.599  1.00  0.00           H  
HETATM   42  H   UNL     1       0.416   1.962   1.576  1.00  0.00           H  
HETATM   43  H   UNL     1       1.775   1.753  -1.149  1.00  0.00           H  
HETATM   44  H   UNL     1       2.329   2.750   0.218  1.00  0.00           H  
HETATM   45  H   UNL     1       2.617   0.728   1.601  1.00  0.00           H  
HETATM   46  H   UNL     1       1.746  -0.771  -0.913  1.00  0.00           H  
HETATM   47  H   UNL     1       2.279  -1.509   0.617  1.00  0.00           H  
HETATM   48  H   UNL     1       0.388  -0.439   1.801  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.201  -1.447   0.458  1.00  0.00           H  
HETATM   50  H   UNL     1       7.237   0.305   1.664  1.00  0.00           H  
HETATM   51  H   UNL     1       5.858  -2.430  -1.310  1.00  0.00           H  
HETATM   52  H   UNL     1       8.216  -2.709  -2.046  1.00  0.00           H  
HETATM   53  H   UNL     1       9.994  -1.460  -0.887  1.00  0.00           H  
HETATM   54  H   UNL     1       4.400  -1.744   0.546  1.00  0.00           H  
HETATM   55  H   UNL     1       4.984  -0.605   1.784  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.408   1.256  -0.176  1.00  0.00           H  
HETATM   57  O   UNL     1      -0.308   4.237   0.517  1.00  0.00           O  
HETATM   58  H   UNL     1      -0.799   4.962   0.105  1.00  0.00           H  
CONECT    1    2   29   56                                            
CONECT    2    1    3    5   30                                       
CONECT    3    2    4   12   31                                       
CONECT    4    3   32                                                 
CONECT    5    2    6   33   34                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   35                                       
CONECT    8    6   10   10   36                                       
CONECT    9    7   11   11   37                                       
CONECT   10    8    8   11   38                                       
CONECT   11    9    9   10   39                                       
CONECT   12    3   40   41   13                                       
CONECT   13   12   14   18                                            
CONECT   14   13   15   19   42                                       
CONECT   15   14   16   43   44                                       
CONECT   16   15   17   45   28                                       
CONECT   17   16   18   46   47                                       
CONECT   18   13   17   48   49                                       
CONECT   19   14   20   20   57                                       
CONECT   20   19   19                                                 
CONECT   21   22   22   26                                            
CONECT   22   21   21   23   50                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   52                                       
CONECT   26   21   25   25   53                                       
CONECT   27   23   28   54   55                                       
CONECT   28   16   27                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56    1                                                      
CONECT   57   19   58                                                 
CONECT   58   57                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
