COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.957  -2.597  -2.616  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.966  -2.181  -1.694  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.555  -1.475  -0.606  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.212  -1.185  -0.434  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.484  -1.038   0.333  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.805  -1.316   0.166  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.701  -0.836   1.171  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.061  -0.319   1.439  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.718  -0.038   1.608  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.796  -0.467   0.672  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.334  -0.152   0.858  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.011   1.185   0.187  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.527   1.505   0.375  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.732   0.516  -0.331  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.342  -0.556   0.377  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.532  -0.581   1.569  1.00  0.00           O  
HETATM   17  C   UNL     1       0.327  -1.724  -0.287  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.462  -3.005   0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       0.283  -4.213  -0.532  1.00  0.00           C  
HETATM   20  C   UNL     1       1.707  -4.311  -0.009  1.00  0.00           C  
HETATM   21  C   UNL     1       2.090  -3.130   0.872  1.00  0.00           C  
HETATM   22  N   UNL     1       1.697  -1.876   0.220  1.00  0.00           N  
HETATM   23  C   UNL     1       2.583  -0.874   0.088  1.00  0.00           C  
HETATM   24  O   UNL     1       2.231   0.179  -0.400  1.00  0.00           O  
HETATM   25  C   UNL     1       4.011  -1.047   0.541  1.00  0.00           C  
HETATM   26  C   UNL     1       4.563  -2.373   0.014  1.00  0.00           C  
HETATM   27  C   UNL     1       5.437  -2.110  -1.213  1.00  0.00           C  
HETATM   28  C   UNL     1       5.989  -3.436  -1.740  1.00  0.00           C  
HETATM   29  C   UNL     1       6.827  -4.108  -0.651  1.00  0.00           C  
HETATM   30  C   UNL     1       5.953  -4.372   0.576  1.00  0.00           C  
HETATM   31  C   UNL     1       5.401  -3.045   1.103  1.00  0.00           C  
HETATM   32  N   UNL     1       4.807   0.076   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.703   1.254   0.673  1.00  0.00           C  
HETATM   34  O   UNL     1       4.052   1.318   1.694  1.00  0.00           O  
HETATM   35  C   UNL     1       5.402   2.480   0.141  1.00  0.00           C  
HETATM   36  N   UNL     1       4.602   3.667   0.529  1.00  0.00           N  
HETATM   37  C   UNL     1       3.324   3.677   0.040  1.00  0.00           C  
HETATM   38  O   UNL     1       2.929   2.777  -0.669  1.00  0.00           O  
HETATM   39  C   UNL     1       2.417   4.824   0.397  1.00  0.00           C  
HETATM   40  O   UNL     1       1.572   5.125  -0.709  1.00  0.00           O  
HETATM   41  C   UNL     1       0.295   4.648  -0.662  1.00  0.00           C  
HETATM   42  C   UNL     1       0.049   3.364  -0.196  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.250   2.890  -0.146  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.295   3.685  -0.568  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.053   4.966  -1.033  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.757   5.450  -1.077  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.444  -1.721  -3.012  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.239  -3.239  -2.105  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.419  -3.149  -3.435  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.489  -1.519  -1.164  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.636   0.250   1.227  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.721  -1.126   0.916  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.431  -1.267   2.135  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.780   0.021   2.170  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.389   0.523   2.471  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.108  -0.088   1.922  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.732  -0.940   0.405  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.237   1.121  -0.878  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.613   1.973   0.639  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.284   1.468   1.437  1.00  0.00           H  
HETATM   61  H   UNL     1       0.355  -1.579  -1.365  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.564  -3.111   1.110  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.451  -2.945  -0.424  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.257  -5.120  -0.257  1.00  0.00           H  
HETATM   65  H   UNL     1       0.312  -4.136  -1.618  1.00  0.00           H  
HETATM   66  H   UNL     1       1.807  -5.229   0.570  1.00  0.00           H  
HETATM   67  H   UNL     1       2.391  -4.352  -0.856  1.00  0.00           H  
HETATM   68  H   UNL     1       1.581  -3.214   1.832  1.00  0.00           H  
HETATM   69  H   UNL     1       3.168  -3.132   1.032  1.00  0.00           H  
HETATM   70  H   UNL     1       4.055  -1.037   1.630  1.00  0.00           H  
HETATM   71  H   UNL     1       3.735  -3.027  -0.262  1.00  0.00           H  
HETATM   72  H   UNL     1       4.840  -1.631  -1.989  1.00  0.00           H  
HETATM   73  H   UNL     1       6.264  -1.457  -0.937  1.00  0.00           H  
HETATM   74  H   UNL     1       5.161  -4.090  -2.017  1.00  0.00           H  
HETATM   75  H   UNL     1       6.612  -3.249  -2.615  1.00  0.00           H  
HETATM   76  H   UNL     1       7.221  -5.053  -1.027  1.00  0.00           H  
HETATM   77  H   UNL     1       7.655  -3.455  -0.375  1.00  0.00           H  
HETATM   78  H   UNL     1       5.126  -5.025   0.300  1.00  0.00           H  
HETATM   79  H   UNL     1       6.550  -4.850   1.352  1.00  0.00           H  
HETATM   80  H   UNL     1       6.229  -2.392   1.380  1.00  0.00           H  
HETATM   81  H   UNL     1       4.778  -3.233   1.978  1.00  0.00           H  
HETATM   82  H   UNL     1       5.367  -0.021  -0.786  1.00  0.00           H  
HETATM   83  H   UNL     1       6.400   2.551   0.574  1.00  0.00           H  
HETATM   84  H   UNL     1       5.475   2.421  -0.945  1.00  0.00           H  
HETATM   85  H   UNL     1       4.956   4.379   1.083  1.00  0.00           H  
HETATM   86  H   UNL     1       1.806   4.549   1.257  1.00  0.00           H  
HETATM   87  H   UNL     1       3.018   5.699   0.644  1.00  0.00           H  
HETATM   88  H   UNL     1       0.867   2.738   0.126  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.306   3.307  -0.535  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.874   5.587  -1.362  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.566   6.451  -1.434  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   10   50                                       
CONECT    5    3    6    8    8                                       
CONECT    6    5    7                                                 
CONECT    7    6   51   52   53                                       
CONECT    8    5    5    9   54                                       
CONECT    9   10   10    8   55                                       
CONECT   10    4   11    9    9                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   43   60                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   22   18   61                                       
CONECT   18   17   19   62   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   21   19   66   67                                       
CONECT   21   22   20   68   69                                       
CONECT   22   23   17   21                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   32   23   70                                       
CONECT   26   27   31   25   71                                       
CONECT   27   28   26   72   73                                       
CONECT   28   29   27   74   75                                       
CONECT   29   28   30   76   77                                       
CONECT   30   29   31   78   79                                       
CONECT   31   30   26   80   81                                       
CONECT   32   33   25   82                                            
CONECT   33   35   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   83   84                                       
CONECT   36   35   37   85                                            
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   86   87                                       
CONECT   40   39   41                                                 
CONECT   41   42   40   46   46                                       
CONECT   42   43   43   41   88                                       
CONECT   43   13   42   42   44                                       
CONECT   44   43   45   45   89                                       
CONECT   45   44   44   46   90                                       
CONECT   46   41   41   45   91                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   42                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
