COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.092   2.160  -0.290  1.00  0.00           C  
HETATM    2  C   UNL     1       5.592   0.934  -1.429  1.00  0.00           C  
HETATM    3  C   UNL     1       4.931  -1.491  -1.714  1.00  0.00           C  
HETATM    4  C   UNL     1       3.591  -1.162  -1.111  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.389  -1.961  -0.707  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.683  -1.715   0.076  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.082  -1.704   0.703  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.376  -1.459   1.486  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.933   1.592  -2.658  1.00  0.00           O  
HETATM   10  P   UNL     1     -10.106   1.955  -1.617  1.00  0.00           P  
HETATM   11  O   UNL     1     -10.526   3.498  -1.799  1.00  0.00           O  
HETATM   12  O   UNL     1     -11.279   1.090  -1.873  1.00  0.00           O  
HETATM   13  O   UNL     1      -9.582   1.716  -0.113  1.00  0.00           O  
HETATM   14  C   UNL     1      -9.232   0.426   0.393  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.776   0.556   1.848  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.559   1.480   1.921  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.913   1.143   2.688  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.402  -0.825   2.390  1.00  0.00           C  
HETATM   19  O   UNL     1      -9.568  -1.650   2.439  1.00  0.00           O  
HETATM   20  O   UNL     1      -7.697  -2.364   0.746  1.00  0.00           O  
HETATM   21  N   UNL     1      -6.102  -1.019   1.500  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.733  -1.010   0.896  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.985  -2.678  -0.597  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.409  -1.275   0.090  1.00  0.00           N  
HETATM   25  C   UNL     1       0.961  -1.266  -0.515  1.00  0.00           C  
HETATM   26  S   UNL     1       2.221  -2.113  -1.500  1.00  0.00           S  
HETATM   27  O   UNL     1       3.481  -0.222  -0.351  1.00  0.00           O  
HETATM   28  C   UNL     1       4.769  -1.384  -3.251  1.00  0.00           C  
HETATM   29  C   UNL     1       5.288  -2.947  -1.422  1.00  0.00           C  
HETATM   30  C   UNL     1       5.843  -3.141  -0.018  1.00  0.00           C  
HETATM   31  C   UNL     1       7.048  -2.230   0.201  1.00  0.00           C  
HETATM   32  C   UNL     1       6.611  -0.760   0.097  1.00  0.00           C  
HETATM   33  C   UNL     1       5.600  -0.472   1.200  1.00  0.00           C  
HETATM   34  C   UNL     1       7.847   0.116   0.232  1.00  0.00           C  
HETATM   35  C   UNL     1       6.017  -0.528  -1.291  1.00  0.00           C  
HETATM   36  C   UNL     1       6.858   1.803  -1.405  1.00  0.00           C  
HETATM   37  O   UNL     1       6.486   3.180  -1.500  1.00  0.00           O  
HETATM   38  C   UNL     1       7.652   1.573  -0.147  1.00  0.00           C  
HETATM   39  C   UNL     1       9.583   2.007   1.179  1.00  0.00           C  
HETATM   40  C   UNL     1      10.749   2.936   1.531  1.00  0.00           C  
HETATM   41  O   UNL     1       9.906   0.601   1.331  1.00  0.00           O  
HETATM   42  C   UNL     1       8.614  -0.052   1.539  1.00  0.00           C  
HETATM   43  C   UNL     1       8.054   0.841   2.671  1.00  0.00           C  
HETATM   44  C   UNL     1       8.318   2.251   2.057  1.00  0.00           C  
HETATM   45  C   UNL     1       7.146   2.415   1.041  1.00  0.00           C  
HETATM   46  H   UNL     1       9.681   1.560  -0.980  1.00  0.00           H  
HETATM   47  H   UNL     1       9.049   3.204  -0.595  1.00  0.00           H  
HETATM   48  H   UNL     1       5.086   1.092  -2.384  1.00  0.00           H  
HETATM   49  H   UNL     1       4.930   1.237  -0.626  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.313  -2.999  -0.385  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.668  -1.927  -1.761  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.006  -2.743   1.025  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.361  -1.671  -0.350  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.131   2.121  -2.548  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.853   3.715  -2.683  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.100  -0.232   0.341  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.423   0.008  -0.205  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.855   2.493   1.652  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.159   1.474   2.934  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.795   1.129   1.227  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.760   0.458   2.682  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.570   1.288   3.712  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.217   2.102   2.268  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.988  -0.721   3.393  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.990  -1.785   1.580  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.861  -0.249   2.038  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.454  -1.044   1.949  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.809   0.028   0.573  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.168  -0.505   0.628  1.00  0.00           H  
HETATM   70  H   UNL     1       0.884  -0.228  -0.837  1.00  0.00           H  
HETATM   71  H   UNL     1       1.239  -1.300   0.539  1.00  0.00           H  
HETATM   72  H   UNL     1       5.711  -1.642  -3.735  1.00  0.00           H  
HETATM   73  H   UNL     1       3.990  -2.070  -3.583  1.00  0.00           H  
HETATM   74  H   UNL     1       4.492  -0.364  -3.517  1.00  0.00           H  
HETATM   75  H   UNL     1       4.387  -3.561  -1.541  1.00  0.00           H  
HETATM   76  H   UNL     1       6.026  -3.287  -2.156  1.00  0.00           H  
HETATM   77  H   UNL     1       5.075  -2.969   0.729  1.00  0.00           H  
HETATM   78  H   UNL     1       6.176  -4.185   0.085  1.00  0.00           H  
HETATM   79  H   UNL     1       7.469  -2.411   1.189  1.00  0.00           H  
HETATM   80  H   UNL     1       7.802  -2.431  -0.560  1.00  0.00           H  
HETATM   81  H   UNL     1       6.061  -0.654   2.171  1.00  0.00           H  
HETATM   82  H   UNL     1       5.281   0.568   1.138  1.00  0.00           H  
HETATM   83  H   UNL     1       4.735  -1.125   1.080  1.00  0.00           H  
HETATM   84  H   UNL     1       8.552  -0.282  -0.552  1.00  0.00           H  
HETATM   85  H   UNL     1       6.862  -0.666  -2.009  1.00  0.00           H  
HETATM   86  H   UNL     1       7.478   1.545  -2.269  1.00  0.00           H  
HETATM   87  H   UNL     1       6.001   3.402  -2.306  1.00  0.00           H  
HETATM   88  H   UNL     1      10.447   3.972   1.378  1.00  0.00           H  
HETATM   89  H   UNL     1      11.028   2.789   2.574  1.00  0.00           H  
HETATM   90  H   UNL     1      11.601   2.707   0.891  1.00  0.00           H  
HETATM   91  H   UNL     1       8.736  -1.093   1.836  1.00  0.00           H  
HETATM   92  H   UNL     1       7.009   0.683   2.893  1.00  0.00           H  
HETATM   93  H   UNL     1       8.645   0.713   3.591  1.00  0.00           H  
HETATM   94  H   UNL     1       8.414   3.058   2.780  1.00  0.00           H  
HETATM   95  H   UNL     1       7.040   3.469   0.756  1.00  0.00           H  
HETATM   96  H   UNL     1       6.209   2.050   1.447  1.00  0.00           H  
CONECT    1   38   39   46   47                                       
CONECT    2   35   36   48   49                                       
CONECT    3    4   29   28   35                                       
CONECT    4   26   27   27    3                                       
CONECT    5   24   25   50   51                                       
CONECT    6   22   24   23   23                                       
CONECT    7   21   22   52   53                                       
CONECT    8   20   20   18   21                                       
CONECT    9   10   54                                                 
CONECT   10   12   12    9   13                                       
CONECT   10   11                                                      
CONECT   11   10   55                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   56   57                                       
CONECT   15   16   17   14   18                                       
CONECT   16   15   58   59   60                                       
CONECT   17   15   61   62   63                                       
CONECT   18   15    8   19   64                                       
CONECT   19   18   65                                                 
CONECT   20    8    8                                                 
CONECT   21    8    7   66                                            
CONECT   22    7    6   67   68                                       
CONECT   23    6    6                                                 
CONECT   24    6    5   69                                            
CONECT   25    5   26   70   71                                       
CONECT   26   25    4                                                 
CONECT   27    4    4                                                 
CONECT   28    3   72   73   74                                       
CONECT   29   30    3   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   79   80                                       
CONECT   32   33   31   35   34                                       
CONECT   33   32   81   82   83                                       
CONECT   34   32   42   38   84                                       
CONECT   35    3   32    2   85                                       
CONECT   36    2   38   37   86                                       
CONECT   37   36   87                                                 
CONECT   38   34   45   36    1                                       
CONECT   39   44   41    1   40                                       
CONECT   40   39   88   89   90                                       
CONECT   41   42   39                                                 
CONECT   42   34   43   41   91                                       
CONECT   43   42   44   92   93                                       
CONECT   44   43   45   39   94                                       
CONECT   45   38   44   95   96                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
