COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.847   1.815  -0.121  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.561  -0.134   0.581  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.422  -0.942   0.509  1.00  0.00           C  
HETATM    4  C   UNL     1       1.970  -1.167   0.329  1.00  0.00           C  
HETATM    5  C   UNL     1       6.850   1.334  -1.105  1.00  0.00           C  
HETATM    6  C   UNL     1       7.825   0.675  -1.985  1.00  0.00           C  
HETATM    7  C   UNL     1       9.214   1.243  -2.128  1.00  0.00           C  
HETATM    8  C   UNL     1       7.170   2.549  -0.488  1.00  0.00           C  
HETATM    9  C   UNL     1       5.013   2.585   0.558  1.00  0.00           C  
HETATM   10  C   UNL     1       4.517   4.431   1.968  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.122  -0.742  -1.736  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.811  -0.271  -1.188  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.896   0.387  -0.152  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.297   2.504   0.860  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.895   2.474   0.307  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.348   3.409  -0.500  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.036   2.996  -0.780  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.617   1.017  -0.119  1.00  0.00           C  
HETATM   19  C   UNL     1       0.832  -0.362   0.396  1.00  0.00           C  
HETATM   20  C   UNL     1       3.309  -0.549   0.214  1.00  0.00           C  
HETATM   21  C   UNL     1       4.683   1.375  -0.058  1.00  0.00           C  
HETATM   22  C   UNL     1       5.596   0.751  -0.886  1.00  0.00           C  
HETATM   23  C   UNL     1       6.255   3.165   0.336  1.00  0.00           C  
HETATM   24  C   UNL     1       3.382   4.967   2.844  1.00  0.00           C  
HETATM   25  C   UNL     1       1.844  -2.554   0.376  1.00  0.00           C  
HETATM   26  C   UNL     1       0.583  -3.132   0.485  1.00  0.00           C  
HETATM   27  C   UNL     1       0.444  -4.609   0.535  1.00  0.00           C  
HETATM   28  C   UNL     1       1.625  -8.026   0.544  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.465  -6.642   0.654  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.764  -5.325   0.638  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.549  -2.324   0.556  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.608   2.034   0.313  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.523   1.375  -0.724  1.00  0.00           C  
HETATM   34  N   UNL     1      -9.214  -0.059  -0.805  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.206   1.821  -0.070  1.00  0.00           N  
HETATM   36  N   UNL     1       3.430   0.793   0.169  1.00  0.00           N  
HETATM   37  N   UNL     1       1.429  -5.481   0.486  1.00  0.00           N  
HETATM   38  N   UNL     1       0.877  -6.766   0.561  1.00  0.00           N  
HETATM   39  O   UNL     1       7.512  -0.325  -2.595  1.00  0.00           O  
HETATM   40  O   UNL     1       4.115   3.197   1.371  1.00  0.00           O  
HETATM   41  O   UNL     1       4.299  -1.251   0.160  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.647   1.392  -0.750  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.988   1.515   0.533  1.00  0.00           O  
HETATM   44  H   UNL     1      -2.311  -0.401   1.136  1.00  0.00           H  
HETATM   45  H   UNL     1       9.281   2.182  -1.580  1.00  0.00           H  
HETATM   46  H   UNL     1       9.939   0.535  -1.726  1.00  0.00           H  
HETATM   47  H   UNL     1       9.426   1.421  -3.182  1.00  0.00           H  
HETATM   48  H   UNL     1       8.135   3.003  -0.658  1.00  0.00           H  
HETATM   49  H   UNL     1       4.745   5.156   1.186  1.00  0.00           H  
HETATM   50  H   UNL     1       5.403   4.267   2.581  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.020  -0.305  -2.729  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.871  -1.802  -1.777  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.150  -0.625  -1.392  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.630   0.173  -2.167  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.603  -1.340  -1.230  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.058  -0.076   0.822  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.856   0.255  -0.449  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.317   1.997   1.825  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.615   3.539   0.986  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.829   4.305  -0.862  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.315   3.513  -1.396  1.00  0.00           H  
HETATM   62  H   UNL     1       0.929   0.713   0.360  1.00  0.00           H  
HETATM   63  H   UNL     1       5.343  -0.185  -1.364  1.00  0.00           H  
HETATM   64  H   UNL     1       6.503   4.103   0.811  1.00  0.00           H  
HETATM   65  H   UNL     1       3.154   4.243   3.626  1.00  0.00           H  
HETATM   66  H   UNL     1       3.689   5.909   3.299  1.00  0.00           H  
HETATM   67  H   UNL     1       2.497   5.132   2.231  1.00  0.00           H  
HETATM   68  H   UNL     1       2.723  -3.180   0.324  1.00  0.00           H  
HETATM   69  H   UNL     1       1.737  -8.367  -0.485  1.00  0.00           H  
HETATM   70  H   UNL     1       2.610  -7.870   0.984  1.00  0.00           H  
HETATM   71  H   UNL     1       1.084  -8.777   1.119  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.173  -7.454   0.728  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.754  -4.897   0.694  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.527  -2.772   0.647  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.816   3.103   0.354  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.789   1.590   1.292  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.564   1.507  -0.426  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.362   1.838  -1.697  1.00  0.00           H  
HETATM   79  H   UNL     1       2.649   1.355   0.293  1.00  0.00           H  
CONECT    1   18   43   17   17                                       
CONECT    2    3   18   44                                            
CONECT    3   19   19   31    2                                       
CONECT    4   20   25   25   19                                       
CONECT    5    8    6   22   22                                       
CONECT    6   39   39    5    7                                       
CONECT    7    6   45   46   47                                       
CONECT    8   23   23    5   48                                       
CONECT    9   23   40   21   21                                       
CONECT   10   24   40   49   50                                       
CONECT   11   34   51   52   53                                       
CONECT   12   13   34   54   55                                       
CONECT   13   35   12   56   57                                       
CONECT   14   15   35   58   59                                       
CONECT   15   43   14   16   16                                       
CONECT   16   17   15   15   60                                       
CONECT   17    1    1   16   61                                       
CONECT   18   42   42    2    1                                       
CONECT   19    4    3    3   62                                       
CONECT   20   41   41   36    4                                       
CONECT   21    9    9   22   36                                       
CONECT   22    5    5   21   63                                       
CONECT   23    8    8    9   64                                       
CONECT   24   10   65   66   67                                       
CONECT   25    4    4   26   68                                       
CONECT   26   25   27   31   31                                       
CONECT   27   30   26   37   37                                       
CONECT   28   38   69   70   71                                       
CONECT   29   30   30   38   72                                       
CONECT   30   27   29   29   73                                       
CONECT   31   26   26    3   74                                       
CONECT   32   35   33   75   76                                       
CONECT   33   32   34   77   78                                       
CONECT   34   33   12   11                                            
CONECT   35   14   32   13                                            
CONECT   36   21   20   79                                            
CONECT   37   27   27   38                                            
CONECT   38   29   37   28                                            
CONECT   39    6    6                                                 
CONECT   40   10    9                                                 
CONECT   41   20   20                                                 
CONECT   42   18   18                                                 
CONECT   43    1   15                                                 
CONECT   44    2                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
