COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.622  -0.665   1.469  1.00  0.00           C  
HETATM    2  C   UNL     1       4.809  -4.076  -2.298  1.00  0.00           C  
HETATM    3  C   UNL     1       0.030  -0.299   0.289  1.00  0.00           C  
HETATM    4  C   UNL     1       0.978  -1.167  -0.277  1.00  0.00           C  
HETATM    5  C   UNL     1       2.976  -2.027  -1.972  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.486  -4.605   2.959  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.781  -2.424   2.913  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.260  -2.644   1.477  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.841  -2.938   3.889  1.00  0.00           C  
HETATM   10  C   UNL     1       2.665  -3.116  -2.776  1.00  0.00           C  
HETATM   11  C   UNL     1       3.580  -4.138  -2.937  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.527  -3.151   3.127  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.333  -1.870   2.069  1.00  0.00           C  
HETATM   14  C   UNL     1       1.257  -2.379   0.344  1.00  0.00           C  
HETATM   15  C   UNL     1       5.119  -2.991  -1.491  1.00  0.00           C  
HETATM   16  C   UNL     1       4.206  -1.968  -1.328  1.00  0.00           C  
HETATM   17  C   UNL     1       5.325  -6.169  -3.302  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.276   0.989  -0.359  1.00  0.00           C  
HETATM   19  C   UNL     1       0.604  -2.725   1.509  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.589  -1.118   4.166  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.313  -3.267   4.211  1.00  0.00           O  
HETATM   22  O   UNL     1       5.709  -5.083  -2.457  1.00  0.00           O  
HETATM   23  O   UNL     1       0.294   1.303  -1.387  1.00  0.00           O  
HETATM   24  S   UNL     1      -1.156  -2.328   3.558  1.00  0.00           S  
HETATM   25  S   UNL     1       1.810  -0.723  -1.765  1.00  0.00           S  
HETATM   26  N   UNL     1      -1.187   1.819   0.187  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.574   3.046  -0.514  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.291   4.254   0.380  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.066   2.994  -0.846  1.00  0.00           C  
HETATM   30  C   UNL     1       0.193   4.376   0.606  1.00  0.00           C  
HETATM   31  C   UNL     1       0.965   5.128  -0.260  1.00  0.00           C  
HETATM   32  C   UNL     1       2.328   5.239  -0.052  1.00  0.00           C  
HETATM   33  C   UNL     1       2.918   4.600   1.022  1.00  0.00           C  
HETATM   34  C   UNL     1       2.146   3.848   1.888  1.00  0.00           C  
HETATM   35  C   UNL     1       0.783   3.740   1.683  1.00  0.00           C  
HETATM   36  C   UNL     1       4.403   4.721   1.248  1.00  0.00           C  
HETATM   37  C   UNL     1       4.770   6.193   1.447  1.00  0.00           C  
HETATM   38  C   UNL     1       4.796   3.924   2.494  1.00  0.00           C  
HETATM   39  C   UNL     1       5.150   4.169   0.033  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.320   1.899  -1.850  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.412   1.176  -2.202  1.00  0.00           O  
HETATM   42  N   UNL     1      -4.557   1.723  -2.357  1.00  0.00           N  
HETATM   43  C   UNL     1      -4.803   0.658  -3.332  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.255   0.675  -3.737  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.006   1.492  -3.260  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.713  -0.218  -4.629  1.00  0.00           O  
HETATM   47  H   UNL     1      -1.349  -0.001   1.913  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.236  -4.845   1.925  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.730  -5.026   3.622  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.461  -5.027   3.205  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.618  -1.360   3.083  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.193  -2.103   1.318  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.504  -2.277   0.782  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.423  -3.708   1.307  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.774  -2.398   3.730  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.005  -4.003   3.719  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.501  -2.782   4.912  1.00  0.00           H  
HETATM   58  H   UNL     1       1.709  -3.163  -3.277  1.00  0.00           H  
HETATM   59  H   UNL     1       3.338  -4.985  -3.562  1.00  0.00           H  
HETATM   60  H   UNL     1       1.985  -3.051  -0.086  1.00  0.00           H  
HETATM   61  H   UNL     1       6.075  -2.946  -0.990  1.00  0.00           H  
HETATM   62  H   UNL     1       4.449  -1.121  -0.704  1.00  0.00           H  
HETATM   63  H   UNL     1       4.427  -6.640  -2.902  1.00  0.00           H  
HETATM   64  H   UNL     1       5.122  -5.796  -4.306  1.00  0.00           H  
HETATM   65  H   UNL     1       6.131  -6.902  -3.342  1.00  0.00           H  
HETATM   66  H   UNL     1       0.824  -3.668   1.987  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.586   1.604   1.044  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.999   3.134  -1.436  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.660   5.159  -0.105  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.795   4.124   1.337  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.634   2.793   0.062  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.378   3.951  -1.265  1.00  0.00           H  
HETATM   73  H   UNL     1       0.504   5.628  -1.099  1.00  0.00           H  
HETATM   74  H   UNL     1       2.931   5.826  -0.729  1.00  0.00           H  
HETATM   75  H   UNL     1       2.607   3.348   2.727  1.00  0.00           H  
HETATM   76  H   UNL     1       0.179   3.157   2.362  1.00  0.00           H  
HETATM   77  H   UNL     1       4.237   6.586   2.313  1.00  0.00           H  
HETATM   78  H   UNL     1       5.844   6.280   1.611  1.00  0.00           H  
HETATM   79  H   UNL     1       4.490   6.760   0.560  1.00  0.00           H  
HETATM   80  H   UNL     1       4.534   2.875   2.352  1.00  0.00           H  
HETATM   81  H   UNL     1       5.870   4.011   2.657  1.00  0.00           H  
HETATM   82  H   UNL     1       4.263   4.317   3.359  1.00  0.00           H  
HETATM   83  H   UNL     1       4.870   4.736  -0.855  1.00  0.00           H  
HETATM   84  H   UNL     1       6.224   4.256   0.196  1.00  0.00           H  
HETATM   85  H   UNL     1       4.889   3.120  -0.109  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.283   2.301  -2.075  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.179   0.819  -4.211  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.562  -0.306  -2.887  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.652  -0.168  -4.857  1.00  0.00           H  
CONECT    1   13   13    3   47                                       
CONECT    2   22   15   15   11                                       
CONECT    3    1    4    4   18                                       
CONECT    4    3    3   14   25                                       
CONECT    5   10   16   16   25                                       
CONECT    6   12   48   49   50                                       
CONECT    7    8    9   12   51                                       
CONECT    8    7   52   53   54                                       
CONECT    9    7   55   56   57                                       
CONECT   10    5   11   11   58                                       
CONECT   11    2   10   10   59                                       
CONECT   12    6    7   24                                            
CONECT   13    1    1   19   24                                       
CONECT   14    4   19   19   60                                       
CONECT   15    2    2   16   61                                       
CONECT   16    5    5   15   62                                       
CONECT   17   22   63   64   65                                       
CONECT   18    3   26   23   23                                       
CONECT   19   13   14   14   66                                       
CONECT   20   24   24                                                 
CONECT   21   24   24                                                 
CONECT   22    2   17                                                 
CONECT   23   18   18                                                 
CONECT   24   12   13   20   20                                       
CONECT   24   21   21                                                 
CONECT   25    4    5                                                 
CONECT   26   18   27   67                                            
CONECT   27   26   28   29   68                                       
CONECT   28   27   30   69   70                                       
CONECT   29   27   40   71   72                                       
CONECT   30   28   31   31   35                                       
CONECT   31   30   30   32   73                                       
CONECT   32   31   33   33   74                                       
CONECT   33   32   32   36   34                                       
CONECT   34   33   35   35   75                                       
CONECT   35   30   34   34   76                                       
CONECT   36   33   37   38   39                                       
CONECT   37   36   77   78   79                                       
CONECT   38   36   80   81   82                                       
CONECT   39   36   83   84   85                                       
CONECT   40   42   29   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   43   40   86                                            
CONECT   43   42   44   87   88                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   89                                                 
CONECT   47    1                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
