COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.708  -2.198  -2.460  1.00  0.00           C  
HETATM    2  C   UNL     1       7.552  -4.432  -2.048  1.00  0.00           C  
HETATM    3  C   UNL     1       2.973   7.298  -1.820  1.00  0.00           C  
HETATM    4  C   UNL     1       3.726  -0.389   1.860  1.00  0.00           C  
HETATM    5  C   UNL     1       3.749  -1.399   0.880  1.00  0.00           C  
HETATM    6  C   UNL     1       2.949   0.753   1.666  1.00  0.00           C  
HETATM    7  C   UNL     1       2.204   0.881   0.501  1.00  0.00           C  
HETATM    8  C   UNL     1       2.234  -0.130  -0.465  1.00  0.00           C  
HETATM    9  C   UNL     1       2.994  -1.250  -0.279  1.00  0.00           C  
HETATM   10  C   UNL     1       4.928  -0.108   4.210  1.00  0.00           C  
HETATM   11  C   UNL     1       1.962   3.306   0.145  1.00  0.00           C  
HETATM   12  C   UNL     1       1.373   2.090   0.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.088   1.978   0.213  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.844   3.135   0.005  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.113   4.409  -0.133  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.575   1.601   0.120  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.216   2.883  -0.040  1.00  0.00           C  
HETATM   18  C   UNL     1       1.921   5.714  -0.198  1.00  0.00           C  
HETATM   19  C   UNL     1       2.247   5.959  -1.673  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.957   1.112   0.108  1.00  0.00           C  
HETATM   21  N   UNL     1       7.061  -3.490  -3.062  1.00  0.00           N  
HETATM   22  C   UNL     1       6.450  -4.699  -1.021  1.00  0.00           C  
HETATM   23  C   UNL     1       6.043  -3.378  -0.362  1.00  0.00           C  
HETATM   24  C   UNL     1       5.581  -2.398  -1.444  1.00  0.00           C  
HETATM   25  C   UNL     1       4.899  -3.629   0.622  1.00  0.00           C  
HETATM   26  N   UNL     1       4.590  -2.389   1.339  1.00  0.00           N  
HETATM   27  C   UNL     1       5.094  -2.042   2.562  1.00  0.00           C  
HETATM   28  C   UNL     1       4.616  -0.843   2.931  1.00  0.00           C  
HETATM   29  N   UNL     1       1.227   4.432  -0.058  1.00  0.00           N  
HETATM   30  S   UNL     1      -1.157   0.590   0.346  1.00  0.00           S  
HETATM   31  O   UNL     1      -0.728   5.445  -0.315  1.00  0.00           O  
HETATM   32  N   UNL     1      -4.209  -0.201   0.279  1.00  0.00           N  
HETATM   33  O   UNL     1      -4.877   1.891  -0.057  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.590  -0.690   0.266  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.032  -0.914  -1.177  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.539  -1.176  -1.228  1.00  0.00           C  
HETATM   37  S   UNL     1      -7.902  -2.715  -0.335  1.00  0.00           S  
HETATM   38  C   UNL     1      -7.135  -2.380   1.278  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.671  -1.990   1.062  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.308  -2.816  -0.157  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.200  -3.780  -0.960  1.00  0.00           O  
HETATM   42  H   UNL     1       7.581  -1.782  -1.956  1.00  0.00           H  
HETATM   43  H   UNL     1       6.377  -1.513  -3.240  1.00  0.00           H  
HETATM   44  H   UNL     1       7.835  -5.369  -2.529  1.00  0.00           H  
HETATM   45  H   UNL     1       8.421  -4.006  -1.547  1.00  0.00           H  
HETATM   46  H   UNL     1       2.333   8.100  -1.451  1.00  0.00           H  
HETATM   47  H   UNL     1       3.897   7.275  -1.242  1.00  0.00           H  
HETATM   48  H   UNL     1       3.205   7.472  -2.871  1.00  0.00           H  
HETATM   49  H   UNL     1       2.928   1.531   2.414  1.00  0.00           H  
HETATM   50  H   UNL     1       1.651  -0.024  -1.368  1.00  0.00           H  
HETATM   51  H   UNL     1       3.008  -2.022  -1.034  1.00  0.00           H  
HETATM   52  H   UNL     1       5.801   0.528   4.059  1.00  0.00           H  
HETATM   53  H   UNL     1       4.074   0.507   4.493  1.00  0.00           H  
HETATM   54  H   UNL     1       5.136  -0.828   5.001  1.00  0.00           H  
HETATM   55  H   UNL     1       3.037   3.381   0.202  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.940   3.669  -0.193  1.00  0.00           H  
HETATM   57  H   UNL     1       2.846   5.692   0.379  1.00  0.00           H  
HETATM   58  H   UNL     1       1.282   6.516   0.170  1.00  0.00           H  
HETATM   59  H   UNL     1       1.323   5.981  -2.251  1.00  0.00           H  
HETATM   60  H   UNL     1       2.887   5.156  -2.042  1.00  0.00           H  
HETATM   61  H   UNL     1       7.735  -3.372  -3.803  1.00  0.00           H  
HETATM   62  H   UNL     1       5.586  -5.139  -1.520  1.00  0.00           H  
HETATM   63  H   UNL     1       6.820  -5.386  -0.260  1.00  0.00           H  
HETATM   64  H   UNL     1       6.896  -2.958   0.169  1.00  0.00           H  
HETATM   65  H   UNL     1       5.330  -1.442  -0.986  1.00  0.00           H  
HETATM   66  H   UNL     1       4.703  -2.802  -1.950  1.00  0.00           H  
HETATM   67  H   UNL     1       4.016  -3.963   0.077  1.00  0.00           H  
HETATM   68  H   UNL     1       5.196  -4.397   1.337  1.00  0.00           H  
HETATM   69  H   UNL     1       5.778  -2.642   3.144  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.476  -0.823   0.410  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.239   0.055   0.728  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.798  -0.028  -1.768  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.501  -1.772  -1.589  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.069  -0.347  -0.759  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.857  -1.273  -2.266  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.662  -1.563   1.770  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.187  -3.274   1.899  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.162  -2.782   0.512  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.186  -1.853   2.028  1.00  0.00           H  
CONECT    1   21   24   42   43                                       
CONECT    2   21   22   44   45                                       
CONECT    3   19   46   47   48                                       
CONECT    4   28    6    6    5                                       
CONECT    5    4   26    9    9                                       
CONECT    6    4    4    7   49                                       
CONECT    7    6   12    8    8                                       
CONECT    8    7    7    9   50                                       
CONECT    9    5    5    8   51                                       
CONECT   10   28   52   53   54                                       
CONECT   11   29   12   12   55                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   14   14   30                                       
CONECT   14   15   13   13   17                                       
CONECT   15   29   31   31   14                                       
CONECT   16   17   17   30   20                                       
CONECT   17   14   16   16   56                                       
CONECT   18   19   29   57   58                                       
CONECT   19    3   18   59   60                                       
CONECT   20   16   32   33   33                                       
CONECT   21    2    1   61                                            
CONECT   22    2   23   62   63                                       
CONECT   23   22   24   25   64                                       
CONECT   24    1   23   65   66                                       
CONECT   25   23   26   67   68                                       
CONECT   26   27    5   25                                            
CONECT   27   28   28   26   69                                       
CONECT   28   10   27   27    4                                       
CONECT   29   18   11   15                                            
CONECT   30   13   16                                                 
CONECT   31   15   15                                                 
CONECT   32   20   34   70                                            
CONECT   33   20   20                                                 
CONECT   34   32   35   39   71                                       
CONECT   35   34   36   72   73                                       
CONECT   36   35   37   74   75                                       
CONECT   37   41   41   36   38                                       
CONECT   37   40   40                                                 
CONECT   38   39   37   76   77                                       
CONECT   39   34   38   78   79                                       
CONECT   40   37   37                                                 
CONECT   41   37   37                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
