COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.266   3.348  -0.203  1.00  0.00           C  
HETATM    2  C   UNL     1       4.283   5.345  -0.414  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.389  -3.612  -0.038  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.269   1.421   0.131  1.00  0.00           N  
HETATM    5  N   UNL     1       2.106  -1.882   1.290  1.00  0.00           N  
HETATM    6  O   UNL     1       3.486  -2.169   3.072  1.00  0.00           O  
HETATM    7  C   UNL     1       3.387   1.148  -1.673  1.00  0.00           C  
HETATM    8  C   UNL     1       0.089   2.703   0.450  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.739  -1.071  -0.225  1.00  0.00           C  
HETATM   10  C   UNL     1       2.255  -2.102  -0.154  1.00  0.00           C  
HETATM   11  C   UNL     1       4.368   2.043  -1.180  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.059   3.396   0.830  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.383  -2.341  -0.600  1.00  0.00           C  
HETATM   14  C   UNL     1       3.656  -2.631  -0.353  1.00  0.00           C  
HETATM   15  C   UNL     1       3.754   2.924  -0.352  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.127   2.523   0.742  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.327  -3.238  -0.793  1.00  0.00           C  
HETATM   18  C   UNL     1       4.225  -2.697   0.863  1.00  0.00           C  
HETATM   19  C   UNL     1       2.378   2.586  -0.319  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.630   1.293   0.300  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.154  -2.539  -0.546  1.00  0.00           C  
HETATM   22  C   UNL     1       3.265  -2.227   1.878  1.00  0.00           C  
HETATM   23  C   UNL     1       4.413   4.054   0.396  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.565   2.841   1.059  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.814  -2.606  -0.741  1.00  0.00           C  
HETATM   26  C   UNL     1       5.600  -3.162   1.139  1.00  0.00           C  
HETATM   27  C   UNL     1       6.056  -3.184   2.384  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.704   3.665   0.114  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.790  -3.803  -0.093  1.00  0.00           C  
HETATM   30  C   UNL     1       1.398   3.233   0.401  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.383   0.134   0.076  1.00  0.00           C  
HETATM   32  C   UNL     1       1.230  -3.128  -0.639  1.00  0.00           C  
HETATM   33  C   UNL     1       5.836   2.021  -1.518  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.124   4.839   1.261  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.442  -4.687  -1.191  1.00  0.00           C  
HETATM   36  C   UNL     1       4.294  -3.013  -1.664  1.00  0.00           C  
HETATM   37  N   UNL     1       2.194   1.489  -1.151  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.415  -1.293  -0.221  1.00  0.00           N  
HETATM   39  O   UNL     1      -6.517   4.129  -0.849  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.479  -3.064  -0.772  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.126   3.503   1.234  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.363  -4.805   0.607  1.00  0.00           O  
HETATM   43  O   UNL     1       3.589   0.227  -2.443  1.00  0.00           O  
HETATM   44  H   UNL     1      -3.765   4.248  -0.560  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.225   2.580  -0.975  1.00  0.00           H  
HETATM   46  H   UNL     1       4.767   5.219  -1.381  1.00  0.00           H  
HETATM   47  H   UNL     1       3.228   5.576  -0.563  1.00  0.00           H  
HETATM   48  H   UNL     1       4.760   6.163   0.127  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.778  -4.268   0.564  1.00  0.00           H  
HETATM   50  H   UNL     1       0.334   0.721  -0.166  1.00  0.00           H  
HETATM   51  H   UNL     1       1.314  -1.544   1.738  1.00  0.00           H  
HETATM   52  H   UNL     1       2.128  -1.162  -0.692  1.00  0.00           H  
HETATM   53  H   UNL     1       5.468   3.824   0.545  1.00  0.00           H  
HETATM   54  H   UNL     1       3.928   4.181   1.364  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.606   3.609   1.831  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.066   1.940   1.415  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.413  -2.001  -1.405  1.00  0.00           H  
HETATM   58  H   UNL     1       6.234  -3.485   0.326  1.00  0.00           H  
HETATM   59  H   UNL     1       5.422  -2.862   3.197  1.00  0.00           H  
HETATM   60  H   UNL     1       7.061  -3.524   2.585  1.00  0.00           H  
HETATM   61  H   UNL     1       1.631   4.147   0.928  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.460   0.170   0.137  1.00  0.00           H  
HETATM   63  H   UNL     1       1.444  -3.393  -1.675  1.00  0.00           H  
HETATM   64  H   UNL     1       1.288  -4.021  -0.017  1.00  0.00           H  
HETATM   65  H   UNL     1       6.038   1.202  -2.208  1.00  0.00           H  
HETATM   66  H   UNL     1       6.116   2.966  -1.983  1.00  0.00           H  
HETATM   67  H   UNL     1       6.417   1.880  -0.606  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.292   5.471   0.390  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.943   4.970   1.968  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.185   5.118   1.738  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.494  -4.948  -1.312  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.917  -4.848  -2.132  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.000  -5.313  -0.416  1.00  0.00           H  
HETATM   74  H   UNL     1       4.795  -2.144  -2.091  1.00  0.00           H  
HETATM   75  H   UNL     1       5.022  -3.806  -1.496  1.00  0.00           H  
HETATM   76  H   UNL     1       3.526  -3.364  -2.353  1.00  0.00           H  
HETATM   77  H   UNL     1       1.351   1.041  -1.322  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.431   4.319  -0.598  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.323  -4.856   0.507  1.00  0.00           H  
CONECT    1   28   24   44   45                                       
CONECT    2   23   46   47   48                                       
CONECT    3   29   25   25   49                                       
CONECT    4   20    8   50                                            
CONECT    5   22   10   51                                            
CONECT    6   22   22                                                 
CONECT    7   37   43   43   11                                       
CONECT    8    4   12   12   30                                       
CONECT    9   13   38   31   31                                       
CONECT   10    5   14   32   52                                       
CONECT   11   15   15    7   33                                       
CONECT   12   16    8    8   34                                       
CONECT   13   25   17   17    9                                       
CONECT   14   18   18   10   36                                       
CONECT   15   19   23   11   11                                       
CONECT   16   20   20   24   12                                       
CONECT   17   35   13   13   21                                       
CONECT   18   22   26   14   14                                       
CONECT   19   30   30   37   15                                       
CONECT   20   31    4   16   16                                       
CONECT   21   17   32   38   38                                       
CONECT   22    6    6   18    5                                       
CONECT   23   15    2   53   54                                       
CONECT   24    1   16   55   56                                       
CONECT   25    3    3   13   57                                       
CONECT   26   27   27   18   58                                       
CONECT   27   26   26   59   60                                       
CONECT   28   41   41   39    1                                       
CONECT   29   40   40   42    3                                       
CONECT   30    8   19   19   61                                       
CONECT   31    9    9   20   62                                       
CONECT   32   10   21   63   64                                       
CONECT   33   11   65   66   67                                       
CONECT   34   12   68   69   70                                       
CONECT   35   17   71   72   73                                       
CONECT   36   14   74   75   76                                       
CONECT   37   19    7   77                                            
CONECT   38   21   21    9                                            
CONECT   39   28   78                                                 
CONECT   40   29   29                                                 
CONECT   41   28   28                                                 
CONECT   42   29   79                                                 
CONECT   43    7    7                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52   10                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
