COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.811   1.740   0.662  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.425   1.586   0.346  1.00  0.00           C  
HETATM    3  C   UNL     1       0.393   1.070  -0.233  1.00  0.00           C  
HETATM    4  C   UNL     1       2.868   0.217   1.009  1.00  0.00           C  
HETATM    5  C   UNL     1       1.741   1.745  -0.497  1.00  0.00           C  
HETATM    6  C   UNL     1       5.202   0.539  -0.660  1.00  0.00           C  
HETATM    7  C   UNL     1       8.980  -1.537  -0.611  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.564  -1.107  -0.166  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.228  -0.362  -0.147  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.382   0.941   0.641  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.165  -1.238   0.519  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.149  -0.226   1.428  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.840   0.415   1.047  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.672  -0.330   1.083  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.469   0.245   0.737  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.609   2.336   0.309  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.141   2.208  -0.026  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.729   2.102  -0.359  1.00  0.00           C  
HETATM   19  C   UNL     1       0.391   0.483   1.182  1.00  0.00           C  
HETATM   20  C   UNL     1       1.554  -0.504   1.318  1.00  0.00           C  
HETATM   21  C   UNL     1       4.042   1.306  -0.715  1.00  0.00           C  
HETATM   22  C   UNL     1       6.404   1.135  -1.031  1.00  0.00           C  
HETATM   23  C   UNL     1       7.578  -0.987  -0.561  1.00  0.00           C  
HETATM   24  C   UNL     1       9.368  -2.304  -1.666  1.00  0.00           C  
HETATM   25  C   UNL     1      10.656  -2.820  -1.730  1.00  0.00           C  
HETATM   26  C   UNL     1      11.554  -2.560  -0.723  1.00  0.00           C  
HETATM   27  C   UNL     1      11.177  -1.774   0.371  1.00  0.00           C  
HETATM   28  C   UNL     1       9.884  -1.248   0.434  1.00  0.00           C  
HETATM   29  C   UNL     1       9.681  -0.456   1.636  1.00  0.00           C  
HETATM   30  C   UNL     1      10.730  -0.372   2.430  1.00  0.00           C  
HETATM   31  C   UNL     1       5.281   3.100  -1.462  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.352  -2.220   0.052  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.820  -2.501  -0.273  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.464  -3.846   0.060  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.286  -4.200  -1.428  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.293  -2.687  -1.714  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.774  -0.812   0.235  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.005   1.484   0.010  1.00  0.00           N  
HETATM   39  N   UNL     1       2.820   0.760  -0.355  1.00  0.00           N  
HETATM   40  N   UNL     1       7.587   0.413  -0.994  1.00  0.00           N  
HETATM   41  N   UNL     1       6.401   2.407  -1.423  1.00  0.00           N  
HETATM   42  N   UNL     1       4.124   2.573  -1.118  1.00  0.00           N  
HETATM   43  O   UNL     1      -5.578   3.638  -0.069  1.00  0.00           O  
HETATM   44  O   UNL     1       0.189   0.024  -1.184  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.106   3.376  -0.365  1.00  0.00           O  
HETATM   46  S   UNL     1      12.089  -1.276   1.791  1.00  0.00           S  
HETATM   47  H   UNL     1      -7.726   2.313   0.632  1.00  0.00           H  
HETATM   48  H   UNL     1       3.011   1.031   1.719  1.00  0.00           H  
HETATM   49  H   UNL     1       3.696  -0.486   1.091  1.00  0.00           H  
HETATM   50  H   UNL     1       1.751   2.152  -1.508  1.00  0.00           H  
HETATM   51  H   UNL     1       1.889   2.553   0.221  1.00  0.00           H  
HETATM   52  H   UNL     1       5.171  -0.489  -0.333  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.924  -1.234   0.855  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.292  -0.533  -0.739  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.428  -2.085  -0.628  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.923  -0.135  -1.169  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.594   0.711   1.685  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.458   1.516   0.576  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.202   1.524   0.222  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.364  -1.421   1.575  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.970  -1.008   2.166  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.812   0.528   1.853  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.705  -1.367   1.385  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.562  -0.339   0.767  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.527   2.942   0.305  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.782   2.457  -1.388  1.00  0.00           H  
HETATM   67  H   UNL     1       0.507   1.286   1.910  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.551  -0.037   1.359  1.00  0.00           H  
HETATM   69  H   UNL     1       1.416  -1.327   0.617  1.00  0.00           H  
HETATM   70  H   UNL     1       1.583  -0.894   2.336  1.00  0.00           H  
HETATM   71  H   UNL     1       6.936  -1.567  -1.224  1.00  0.00           H  
HETATM   72  H   UNL     1       7.199  -1.049   0.459  1.00  0.00           H  
HETATM   73  H   UNL     1       8.668  -2.513  -2.462  1.00  0.00           H  
HETATM   74  H   UNL     1      10.951  -3.427  -2.572  1.00  0.00           H  
HETATM   75  H   UNL     1      12.555  -2.964  -0.776  1.00  0.00           H  
HETATM   76  H   UNL     1       8.741   0.028   1.861  1.00  0.00           H  
HETATM   77  H   UNL     1      10.747   0.177   3.360  1.00  0.00           H  
HETATM   78  H   UNL     1       5.313   4.130  -1.784  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.005  -2.698   0.968  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.678  -2.371  -0.791  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.866  -4.463   0.731  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.506  -3.768   0.369  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.333  -4.681  -1.651  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.138  -4.728  -1.856  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.287  -2.282  -1.905  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.558  -2.379  -2.459  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.032   0.553   0.281  1.00  0.00           H  
HETATM   88  H   UNL     1       8.421   0.835  -1.254  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.443   4.257   0.661  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.647  -0.449  -1.076  1.00  0.00           H  
CONECT    1   13   13   16   47                                       
CONECT    2   15   16   16   17                                       
CONECT    3    5   18   19   44                                       
CONECT    4   20   39   48   49                                       
CONECT    5    3   39   50   51                                       
CONECT    6   21   21   22   52                                       
CONECT    7   23   24   24   28                                       
CONECT    8    9   53   54   55                                       
CONECT    9    8   10   11   56                                       
CONECT   10    9   57   58   59                                       
CONECT   11    9   33   37   60                                       
CONECT   12   13   37   61   62                                       
CONECT   13    1    1   12   14                                       
CONECT   14   13   15   15   63                                       
CONECT   15    2   14   14   64                                       
CONECT   16    1    2    2   43                                       
CONECT   17    2   38   45   45                                       
CONECT   18    3   38   65   66                                       
CONECT   19    3   20   67   68                                       
CONECT   20    4   19   69   70                                       
CONECT   21    6    6   39   42                                       
CONECT   22    6   40   41   41                                       
CONECT   23    7   40   71   72                                       
CONECT   24    7    7   25   73                                       
CONECT   25   24   26   26   74                                       
CONECT   26   25   25   27   75                                       
CONECT   27   26   28   28   46                                       
CONECT   28    7   27   27   29                                       
CONECT   29   28   30   30   76                                       
CONECT   30   29   29   46   77                                       
CONECT   31   41   42   42   78                                       
CONECT   32   33   37   79   80                                       
CONECT   33   11   32   34   36                                       
CONECT   34   33   35   81   82                                       
CONECT   35   34   36   83   84                                       
CONECT   36   33   35   85   86                                       
CONECT   37   11   12   32                                            
CONECT   38   17   18   87                                            
CONECT   39    4    5   21                                            
CONECT   40   22   23   88                                            
CONECT   41   22   22   31                                            
CONECT   42   21   31   31                                            
CONECT   43   16   89                                                 
CONECT   44    3   90                                                 
CONECT   45   17   17                                                 
CONECT   46   27   30                                                 
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
