COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.163  -0.465  -0.499  1.00  0.00           C  
HETATM    2  O   UNL     1       4.314   0.368  -1.371  1.00  0.00           O  
HETATM    3  N   UNL     1       5.238  -1.013   0.102  1.00  0.00           N  
HETATM    4  C   UNL     1       6.587  -0.606  -0.297  1.00  0.00           C  
HETATM    5  C   UNL     1       6.796  -0.914  -1.781  1.00  0.00           C  
HETATM    6  C   UNL     1       7.618  -1.374   0.533  1.00  0.00           C  
HETATM    7  C   UNL     1       7.409  -1.066   2.017  1.00  0.00           C  
HETATM    8  C   UNL     1       7.580   0.436   2.255  1.00  0.00           C  
HETATM    9  C   UNL     1       6.549   1.204   1.425  1.00  0.00           C  
HETATM   10  C   UNL     1       6.758   0.896  -0.059  1.00  0.00           C  
HETATM   11  N   UNL     1       2.922  -0.836  -0.128  1.00  0.00           N  
HETATM   12  C   UNL     1       1.753  -0.239  -0.781  1.00  0.00           C  
HETATM   13  C   UNL     1       1.441  -1.007  -2.067  1.00  0.00           C  
HETATM   14  C   UNL     1       1.095  -2.458  -1.724  1.00  0.00           C  
HETATM   15  C   UNL     1       0.252  -0.354  -2.775  1.00  0.00           C  
HETATM   16  C   UNL     1       2.662  -0.978  -2.989  1.00  0.00           C  
HETATM   17  C   UNL     1       0.568  -0.310   0.147  1.00  0.00           C  
HETATM   18  O   UNL     1       0.471  -1.225   0.938  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.383   0.643   0.098  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.392   1.878  -0.719  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.662   0.689   0.846  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.825   2.171   1.248  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.984   2.957   0.213  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.579   2.938   1.694  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.792   4.220   2.501  1.00  0.00           C  
HETATM   26  C   UNL     1       0.656   2.118   2.075  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.803   0.256  -0.038  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.671   0.258  -1.244  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.970  -0.135   0.511  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.080  -0.556  -0.348  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.999  -1.497   0.432  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.251  -2.792   0.752  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.117  -3.845   1.464  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.416  -2.718   2.042  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.887  -4.155   2.334  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.339   1.385   0.349  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.871   0.674  -0.798  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.651   2.656  -1.185  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.981   1.572  -1.617  1.00  0.00           C  
HETATM   40  N   UNL     1      -4.551   1.171  -2.830  1.00  0.00           N  
HETATM   41  H   UNL     1       5.118  -1.678   0.798  1.00  0.00           H  
HETATM   42  H   UNL     1       6.062  -0.367  -2.372  1.00  0.00           H  
HETATM   43  H   UNL     1       7.800  -0.611  -2.077  1.00  0.00           H  
HETATM   44  H   UNL     1       6.675  -1.984  -1.950  1.00  0.00           H  
HETATM   45  H   UNL     1       7.497  -2.444   0.364  1.00  0.00           H  
HETATM   46  H   UNL     1       8.622  -1.070   0.237  1.00  0.00           H  
HETATM   47  H   UNL     1       6.405  -1.369   2.314  1.00  0.00           H  
HETATM   48  H   UNL     1       8.144  -1.613   2.609  1.00  0.00           H  
HETATM   49  H   UNL     1       7.431   0.656   3.312  1.00  0.00           H  
HETATM   50  H   UNL     1       8.584   0.739   1.959  1.00  0.00           H  
HETATM   51  H   UNL     1       5.545   0.901   1.722  1.00  0.00           H  
HETATM   52  H   UNL     1       6.670   2.274   1.595  1.00  0.00           H  
HETATM   53  H   UNL     1       7.762   1.199  -0.355  1.00  0.00           H  
HETATM   54  H   UNL     1       6.023   1.443  -0.650  1.00  0.00           H  
HETATM   55  H   UNL     1       2.801  -1.498   0.570  1.00  0.00           H  
HETATM   56  H   UNL     1       1.964   0.802  -1.022  1.00  0.00           H  
HETATM   57  H   UNL     1       0.226  -2.478  -1.068  1.00  0.00           H  
HETATM   58  H   UNL     1       0.873  -3.004  -2.640  1.00  0.00           H  
HETATM   59  H   UNL     1       1.942  -2.923  -1.220  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.607  -0.338  -2.104  1.00  0.00           H  
HETATM   61  H   UNL     1       0.512   0.667  -3.056  1.00  0.00           H  
HETATM   62  H   UNL     1       0.003  -0.925  -3.670  1.00  0.00           H  
HETATM   63  H   UNL     1       2.439  -1.525  -3.905  1.00  0.00           H  
HETATM   64  H   UNL     1       2.908   0.056  -3.233  1.00  0.00           H  
HETATM   65  H   UNL     1       3.509  -1.443  -2.485  1.00  0.00           H  
HETATM   66  H   UNL     1       0.623   2.146  -1.013  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.022   1.748  -1.599  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.607   0.058   1.733  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.807   2.497   1.589  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.351   3.875  -0.247  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.331   3.987   3.419  1.00  0.00           H  
HETATM   72  H   UNL     1       0.175   4.658   2.749  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.371   4.930   1.910  1.00  0.00           H  
HETATM   74  H   UNL     1       0.975   1.523   1.219  1.00  0.00           H  
HETATM   75  H   UNL     1       1.461   2.790   2.371  1.00  0.00           H  
HETATM   76  H   UNL     1       0.410   1.457   2.906  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.076  -0.137   1.475  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.686  -1.074  -1.222  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.308  -1.017   1.360  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.879  -1.726  -0.170  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.700  -3.186  -0.102  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.951  -3.419   2.022  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.417  -4.671   0.820  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.343  -2.637   1.863  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.783  -1.983   2.757  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.127  -4.332   3.382  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.236  -4.920   1.912  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.920   0.867   0.924  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.722   0.357  -1.402  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.920   1.716  -3.326  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.873   0.338  -3.208  1.00  0.00           H  
CONECT    1   11    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   41                                            
CONECT    4    5    3    6   10                                       
CONECT    5    4   42   43   44                                       
CONECT    6    4    7   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10    4    9   53   54                                       
CONECT   11   12    1   55                                            
CONECT   12   13   11   17   56                                       
CONECT   13   15   16   14   12                                       
CONECT   14   13   57   58   59                                       
CONECT   15   13   60   61   62                                       
CONECT   16   13   63   64   65                                       
CONECT   17   12   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   21                                            
CONECT   20   19   23   66   67                                       
CONECT   21   19   27   22   68                                       
CONECT   22   21   23   24   69                                       
CONECT   23   20   22   24   70                                       
CONECT   24   23   22   26   25                                       
CONECT   25   24   71   72   73                                       
CONECT   26   24   74   75   76                                       
CONECT   27   28   28   29   21                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   77                                            
CONECT   30   31   29   37   78                                       
CONECT   31   32   30   79   80                                       
CONECT   32   33   34   31   81                                       
CONECT   33   35   32   82   83                                       
CONECT   34   35   32   84   85                                       
CONECT   35   33   34   86   87                                       
CONECT   36   37   88                                                 
CONECT   37   30   39   36   89                                       
CONECT   38   39   39                                                 
CONECT   39   40   38   38   37                                       
CONECT   40   39   90   91                                            
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
