COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.660  -2.263   1.118  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.262  -3.602   1.181  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.545   0.430  -1.373  1.00  0.00           O  
HETATM    4  S   UNL     1      -0.829  -2.917  -0.079  1.00  0.00           S  
HETATM    5  C   UNL     1      -8.525  -1.832  -0.344  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.668  -0.409   0.349  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.382   0.041   0.477  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.277  -2.295   1.773  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.757   0.139  -0.140  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.095  -0.988   1.224  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.930  -0.422  -0.403  1.00  0.00           C  
HETATM   12  N   UNL     1       2.852  -0.081   0.600  1.00  0.00           N  
HETATM   13  O   UNL     1       1.524   1.416  -0.357  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.668  -0.889   1.737  1.00  0.00           C  
HETATM   15  N   UNL     1       6.210  -2.122  -0.981  1.00  0.00           N  
HETATM   16  O   UNL     1       5.443  -0.880   1.459  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.532   0.035  -0.224  1.00  0.00           C  
HETATM   18  O   UNL     1       5.311  -3.530   0.487  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.198   0.534  -0.204  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.978  -0.160   0.345  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.071   2.042   0.019  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.230   2.746  -0.638  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.394   2.973   0.073  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.127   3.171  -1.949  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.457   3.619  -0.530  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.190   3.817  -2.552  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.356   4.039  -1.843  1.00  0.00           C  
HETATM   28  C   UNL     1       0.429  -0.535   0.394  1.00  0.00           C  
HETATM   29  C   UNL     1       0.629  -1.867  -0.331  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.410  -4.424  -0.999  1.00  0.00           C  
HETATM   31  C   UNL     1       1.640   0.338   0.185  1.00  0.00           C  
HETATM   32  C   UNL     1       4.045   0.714   0.298  1.00  0.00           C  
HETATM   33  C   UNL     1       4.265   1.746   1.405  1.00  0.00           C  
HETATM   34  C   UNL     1       5.444   2.648   1.035  1.00  0.00           C  
HETATM   35  C   UNL     1       5.759   3.581   2.206  1.00  0.00           C  
HETATM   36  C   UNL     1       5.083   3.480  -0.197  1.00  0.00           C  
HETATM   37  C   UNL     1       6.939   4.483   1.836  1.00  0.00           C  
HETATM   38  C   UNL     1       6.262   4.382  -0.567  1.00  0.00           C  
HETATM   39  C   UNL     1       6.577   5.315   0.604  1.00  0.00           C  
HETATM   40  C   UNL     1       5.263  -0.208   0.210  1.00  0.00           C  
HETATM   41  C   UNL     1       5.043  -1.240  -0.898  1.00  0.00           C  
HETATM   42  C   UNL     1       6.246  -3.249  -0.245  1.00  0.00           C  
HETATM   43  C   UNL     1       7.361  -4.102  -0.319  1.00  0.00           C  
HETATM   44  C   UNL     1       8.398  -3.775  -1.142  1.00  0.00           C  
HETATM   45  C   UNL     1       8.330  -2.595  -1.895  1.00  0.00           C  
HETATM   46  C   UNL     1       7.239  -1.798  -1.805  1.00  0.00           C  
HETATM   47  H   UNL     1      -9.297  -1.554   1.649  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.361  -3.909   2.136  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.148  -3.623   0.699  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.869  -2.526  -0.868  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.508  -1.833  -0.816  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.372  -2.624   2.807  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.633  -2.984   1.228  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.663   0.801  -0.843  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.740  -0.149  -1.441  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.627   0.288   0.041  1.00  0.00           H  
HETATM   57  H   UNL     1       2.935  -0.909   1.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.645  -0.925   2.111  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.262  -0.218   2.356  1.00  0.00           H  
HETATM   60  H   UNL     1       4.690  -1.426   1.723  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.281   0.330  -1.272  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.077   2.253   1.089  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.136   2.396  -0.416  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.473   2.645   1.099  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.216   2.998  -2.503  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.366   3.795   0.025  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.110   4.149  -3.576  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.187   4.543  -2.314  1.00  0.00           H  
HETATM   69  H   UNL     1       0.294  -0.719   1.460  1.00  0.00           H  
HETATM   70  H   UNL     1       1.511  -2.369   0.066  1.00  0.00           H  
HETATM   71  H   UNL     1       0.765  -1.683  -1.397  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.248  -4.176  -2.048  1.00  0.00           H  
HETATM   73  H   UNL     1       0.498  -4.861  -0.585  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.228  -5.139  -0.916  1.00  0.00           H  
HETATM   75  H   UNL     1       3.908   1.226  -0.655  1.00  0.00           H  
HETATM   76  H   UNL     1       3.366   2.352   1.521  1.00  0.00           H  
HETATM   77  H   UNL     1       4.480   1.233   2.342  1.00  0.00           H  
HETATM   78  H   UNL     1       6.317   2.033   0.815  1.00  0.00           H  
HETATM   79  H   UNL     1       4.887   4.196   2.426  1.00  0.00           H  
HETATM   80  H   UNL     1       6.017   2.988   3.084  1.00  0.00           H  
HETATM   81  H   UNL     1       4.858   2.815  -1.031  1.00  0.00           H  
HETATM   82  H   UNL     1       4.210   4.095   0.023  1.00  0.00           H  
HETATM   83  H   UNL     1       7.163   5.148   2.670  1.00  0.00           H  
HETATM   84  H   UNL     1       7.811   3.868   1.616  1.00  0.00           H  
HETATM   85  H   UNL     1       7.135   3.767  -0.787  1.00  0.00           H  
HETATM   86  H   UNL     1       6.004   4.975  -1.445  1.00  0.00           H  
HETATM   87  H   UNL     1       5.705   5.930   0.824  1.00  0.00           H  
HETATM   88  H   UNL     1       7.417   5.957   0.340  1.00  0.00           H  
HETATM   89  H   UNL     1       6.151   0.384  -0.015  1.00  0.00           H  
HETATM   90  H   UNL     1       4.906  -0.728  -1.850  1.00  0.00           H  
HETATM   91  H   UNL     1       4.156  -1.831  -0.672  1.00  0.00           H  
HETATM   92  H   UNL     1       7.396  -5.007   0.270  1.00  0.00           H  
HETATM   93  H   UNL     1       9.264  -4.418  -1.212  1.00  0.00           H  
HETATM   94  H   UNL     1       9.144  -2.323  -2.551  1.00  0.00           H  
HETATM   95  H   UNL     1       7.189  -0.892  -2.391  1.00  0.00           H  
CONECT    1    2    5    8   47                                       
CONECT    2    1   48   49                                            
CONECT    3   17   17                                                 
CONECT    4   29   30                                                 
CONECT    5    1   11   50   51                                       
CONECT    6   11   14   17                                            
CONECT    7   17   19                                                 
CONECT    8    1   14   52   53                                       
CONECT    9   20   28   54                                            
CONECT   10   20   20                                                 
CONECT   11    5    6   55   56                                       
CONECT   12   31   32   57                                            
CONECT   13   31   31                                                 
CONECT   14    6    8   58   59                                       
CONECT   15   41   42   46                                            
CONECT   16   40   60                                                 
CONECT   17    3    3    6    7                                       
CONECT   18   42   42                                                 
CONECT   19    7   20   21   61                                       
CONECT   20    9   10   10   19                                       
CONECT   21   19   22   62   63                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   25   64                                       
CONECT   24   22   26   26   65                                       
CONECT   25   23   27   27   66                                       
CONECT   26   24   24   27   67                                       
CONECT   27   25   25   26   68                                       
CONECT   28    9   29   31   69                                       
CONECT   29    4   28   70   71                                       
CONECT   30    4   72   73   74                                       
CONECT   31   12   13   13   28                                       
CONECT   32   12   33   40   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   35   36   78                                       
CONECT   35   34   37   79   80                                       
CONECT   36   34   38   81   82                                       
CONECT   37   35   39   83   84                                       
CONECT   38   36   39   85   86                                       
CONECT   39   37   38   87   88                                       
CONECT   40   16   32   41   89                                       
CONECT   41   15   40   90   91                                       
CONECT   42   15   18   18   43                                       
CONECT   43   42   44   44   92                                       
CONECT   44   43   43   45   93                                       
CONECT   45   44   46   46   94                                       
CONECT   46   15   45   45   95                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
