COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.034  -6.185   0.874  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.993  -4.303   1.436  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.736  -2.030   1.381  1.00  0.00           C  
HETATM    4  C   UNL     1       0.176  -2.729  -2.096  1.00  0.00           C  
HETATM    5  C   UNL     1       2.644  -0.129  -0.711  1.00  0.00           C  
HETATM    6  C   UNL     1       4.123  -0.410  -0.624  1.00  0.00           C  
HETATM    7  C   UNL     1       4.996   0.200  -1.506  1.00  0.00           C  
HETATM    8  C   UNL     1       6.835  -0.924  -0.465  1.00  0.00           C  
HETATM    9  C   UNL     1       8.960  -0.212   0.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.638   0.588  -1.786  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.024  -1.619  -2.511  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.273  -2.603  -1.616  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.289  -2.126  -0.164  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.573  -2.561   0.493  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.778  -3.913   0.818  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.801  -4.885   0.544  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.228  -6.569   1.481  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.197  -5.654   1.762  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.969  -3.330   1.711  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.542  -1.647   0.774  1.00  0.00           C  
HETATM   21  C   UNL     1       0.914  -1.442  -1.829  1.00  0.00           C  
HETATM   22  C   UNL     1       1.908  -1.418  -0.977  1.00  0.00           C  
HETATM   23  C   UNL     1       6.352  -0.057  -1.426  1.00  0.00           C  
HETATM   24  C   UNL     1       8.313  -1.205  -0.378  1.00  0.00           C  
HETATM   25  C   UNL     1       5.964  -1.530   0.421  1.00  0.00           C  
HETATM   26  C   UNL     1       4.608  -1.273   0.341  1.00  0.00           C  
HETATM   27  C   UNL     1       2.164   0.473   0.611  1.00  0.00           C  
HETATM   28  C   UNL     1       1.021   1.422   0.356  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.568   3.079   1.091  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.220   4.141   0.054  1.00  0.00           C  
HETATM   31  C   UNL     1       0.602   5.251   0.714  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.279   6.033   1.688  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.477   5.177   2.104  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.012   3.749   2.392  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.421   1.545  -0.923  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.514   2.215  -1.757  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.370   3.076  -0.865  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.656   2.171   0.589  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.895  -0.754  -1.678  1.00  0.00           N  
HETATM   40  N   UNL     1       0.638   2.260   1.371  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.403   3.767  -1.386  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.488   2.575  -0.410  1.00  0.00           N  
HETATM   43  O   UNL     1      -1.803   1.005  -2.561  1.00  0.00           O  
HETATM   44  O   UNL     1      10.281  -0.270   0.785  1.00  0.00           O  
HETATM   45  O   UNL     1       8.289   0.637   1.091  1.00  0.00           O  
HETATM   46  O   UNL     1       0.465   1.440  -0.721  1.00  0.00           O  
HETATM   47  O   UNL     1      -5.130   3.146   0.322  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.796   1.068   1.085  1.00  0.00           O  
HETATM   49  H   UNL     1      -1.284  -6.931   0.657  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.488  -1.285   1.593  1.00  0.00           H  
HETATM   51  H   UNL     1       0.663  -3.546  -1.565  1.00  0.00           H  
HETATM   52  H   UNL     1       0.184  -2.937  -3.167  1.00  0.00           H  
HETATM   53  H   UNL     1       2.458   0.572  -1.523  1.00  0.00           H  
HETATM   54  H   UNL     1       4.618   0.878  -2.257  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.310  -1.008  -3.065  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.640  -2.174  -3.224  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.754  -3.583  -1.677  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.443  -2.558   0.370  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.218  -1.039  -0.139  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.871  -4.603   0.074  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.388  -7.607   1.732  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.117  -5.966   2.233  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.900  -3.613   2.180  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.383  -0.609   0.521  1.00  0.00           H  
HETATM   65  H   UNL     1       0.625  -0.538  -2.346  1.00  0.00           H  
HETATM   66  H   UNL     1       2.203  -2.322  -0.465  1.00  0.00           H  
HETATM   67  H   UNL     1       7.033   0.419  -2.116  1.00  0.00           H  
HETATM   68  H   UNL     1       8.470  -2.214   0.002  1.00  0.00           H  
HETATM   69  H   UNL     1       8.759  -1.117  -1.369  1.00  0.00           H  
HETATM   70  H   UNL     1       6.341  -2.207   1.172  1.00  0.00           H  
HETATM   71  H   UNL     1       3.927  -1.746   1.033  1.00  0.00           H  
HETATM   72  H   UNL     1       1.827  -0.327   1.272  1.00  0.00           H  
HETATM   73  H   UNL     1       2.984   1.012   1.085  1.00  0.00           H  
HETATM   74  H   UNL     1       0.362   3.694  -0.752  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.131   4.573  -0.358  1.00  0.00           H  
HETATM   76  H   UNL     1       1.440   4.811   1.254  1.00  0.00           H  
HETATM   77  H   UNL     1       0.980   5.926  -0.054  1.00  0.00           H  
HETATM   78  H   UNL     1       0.302   6.298   2.572  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.636   6.944   1.205  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.927   5.599   3.004  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.216   5.168   1.304  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.833   3.180   2.829  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.175   3.773   3.091  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.870   1.007  -0.090  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.054   2.834  -2.527  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.132   1.450  -2.227  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.606  -1.102  -1.114  1.00  0.00           H  
HETATM   88  H   UNL     1       1.122   2.315   2.212  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.595   3.711  -2.335  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.955   4.321  -0.812  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.485   3.474  -0.766  1.00  0.00           H  
HETATM   92  H   UNL     1      10.650   0.388   1.389  1.00  0.00           H  
CONECT    1   17   17   16   49                                       
CONECT    2   18   18   15   19                                       
CONECT    3   19   19   20   50                                       
CONECT    4   12   21   51   52                                       
CONECT    5   27   22    6   53                                       
CONECT    6    5   26   26    7                                       
CONECT    7    6   23   23   54                                       
CONECT    8   25   25   23   24                                       
CONECT    9   45   45   24   44                                       
CONECT   10   39   43   43   35                                       
CONECT   11   39   12   55   56                                       
CONECT   12   13   11    4   57                                       
CONECT   13   14   12   58   59                                       
CONECT   14   15   13   20   20                                       
CONECT   15   16   16    2   14                                       
CONECT   16    1   15   15   60                                       
CONECT   17    1    1   18   61                                       
CONECT   18   17    2    2   62                                       
CONECT   19    2    3    3   63                                       
CONECT   20   14   14    3   64                                       
CONECT   21    4   22   22   65                                       
CONECT   22   21   21    5   66                                       
CONECT   23    7    7    8   67                                       
CONECT   24    8    9   68   69                                       
CONECT   25   26    8    8   70                                       
CONECT   26    6    6   25   71                                       
CONECT   27   28    5   72   73                                       
CONECT   28   46   46   27   40                                       
CONECT   29   34   38   40   30                                       
CONECT   30   29   31   74   75                                       
CONECT   31   32   30   76   77                                       
CONECT   32   33   31   78   79                                       
CONECT   33   34   32   80   81                                       
CONECT   34   33   29   82   83                                       
CONECT   35   10   42   36   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   36   47   47   41                                       
CONECT   38   48   48   29   42                                       
CONECT   39   11   10   87                                            
CONECT   40   28   29   88                                            
CONECT   41   37   89   90                                            
CONECT   42   38   35   91                                            
CONECT   43   10   10                                                 
CONECT   44    9   92                                                 
CONECT   45    9    9                                                 
CONECT   46   28   28                                                 
CONECT   47   37   37                                                 
CONECT   48   38   38                                                 
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
