COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.022   0.257  -4.971  1.00  0.00           C  
HETATM    2  C   UNL     1       0.448   1.481  -5.480  1.00  0.00           C  
HETATM    3  C   UNL     1       0.780   2.513  -4.616  1.00  0.00           C  
HETATM    4  C   UNL     1       0.684   2.335  -3.246  1.00  0.00           C  
HETATM    5  C   UNL     1       0.258   1.131  -2.728  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.079   0.081  -3.586  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.536  -1.209  -3.035  1.00  0.00           C  
HETATM    8  N   UNL     1       0.547   1.668  -6.866  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.628  -1.376  -1.701  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.303  -0.756  -5.814  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.830  -2.120  -3.784  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.081  -2.657  -1.153  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001  -3.219  -0.227  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.747  -1.380   0.229  1.00  0.00           O  
HETATM   15  O   UNL     1       0.214  -2.250   0.840  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.043  -0.135   0.368  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.343  -0.079   1.736  1.00  0.00           C  
HETATM   18  C   UNL     1       0.168   0.127   1.458  1.00  0.00           C  
HETATM   19  C   UNL     1       0.541  -0.985   0.487  1.00  0.00           C  
HETATM   20  O   UNL     1       1.104  -0.751  -0.555  1.00  0.00           O  
HETATM   21  C   UNL     1       0.972  -0.004   2.754  1.00  0.00           C  
HETATM   22  C   UNL     1       2.463   0.145   2.447  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.360  -2.449  -0.415  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.130  -3.380  -0.412  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.861   1.030   2.516  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.885   0.836   3.362  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.422   1.988   4.171  1.00  0.00           C  
HETATM   28  C   UNL     1       1.299  -3.423  -1.011  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.376  -0.262   3.474  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.036   1.023   0.258  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.578   1.500   5.048  1.00  0.00           C  
HETATM   32  C   UNL     1       3.266   0.014   3.743  1.00  0.00           C  
HETATM   33  C   UNL     1       1.513   2.461  -7.371  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.124   2.670   5.869  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.311   2.549   5.060  1.00  0.00           C  
HETATM   36  C   UNL     1       4.757   0.164   3.436  1.00  0.00           C  
HETATM   37  O   UNL     1       2.360   2.928  -6.639  1.00  0.00           O  
HETATM   38  C   UNL     1       5.560   0.032   4.731  1.00  0.00           C  
HETATM   39  C   UNL     1       7.052   0.183   4.424  1.00  0.00           C  
HETATM   40  C   UNL     1       7.855   0.051   5.720  1.00  0.00           C  
HETATM   41  H   UNL     1       1.114   3.460  -5.013  1.00  0.00           H  
HETATM   42  H   UNL     1       0.944   3.144  -2.580  1.00  0.00           H  
HETATM   43  H   UNL     1       0.185   0.999  -1.659  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.078   1.227  -7.461  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.394  -0.649  -1.103  1.00  0.00           H  
HETATM   46  H   UNL     1       0.506  -1.262  -5.968  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.251  -3.357  -1.972  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.329  -4.168   0.194  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.298  -0.049  -0.422  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.499  -1.016   2.272  1.00  0.00           H  
HETATM   51  H   UNL     1       0.341   1.102   1.003  1.00  0.00           H  
HETATM   52  H   UNL     1       0.789  -0.983   3.197  1.00  0.00           H  
HETATM   53  H   UNL     1       0.664   0.773   3.453  1.00  0.00           H  
HETATM   54  H   UNL     1       2.646   1.124   2.004  1.00  0.00           H  
HETATM   55  H   UNL     1       2.770  -0.632   1.748  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.780   2.768   3.500  1.00  0.00           H  
HETATM   57  H   UNL     1       2.065  -3.823  -0.347  1.00  0.00           H  
HETATM   58  H   UNL     1       1.124  -4.124  -1.827  1.00  0.00           H  
HETATM   59  H   UNL     1       1.632  -2.468  -1.417  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.532   0.985  -0.711  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.779   0.941   1.050  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.503   1.969   0.356  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.370   1.100   4.415  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.220   0.720   5.719  1.00  0.00           H  
HETATM   65  H   UNL     1       3.083  -0.964   4.186  1.00  0.00           H  
HETATM   66  H   UNL     1       2.959   0.792   4.441  1.00  0.00           H  
HETATM   67  H   UNL     1       1.534   2.679  -8.429  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.947   2.322   6.494  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.331   3.070   6.502  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.481   3.450   5.198  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.953   1.769   5.731  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.487   2.897   4.435  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.699   3.383   5.645  1.00  0.00           H  
HETATM   74  H   UNL     1       4.940   1.143   2.993  1.00  0.00           H  
HETATM   75  H   UNL     1       5.065  -0.613   2.737  1.00  0.00           H  
HETATM   76  H   UNL     1       5.378  -0.946   5.174  1.00  0.00           H  
HETATM   77  H   UNL     1       5.253   0.810   5.430  1.00  0.00           H  
HETATM   78  H   UNL     1       7.235   1.162   3.981  1.00  0.00           H  
HETATM   79  H   UNL     1       7.359  -0.594   3.726  1.00  0.00           H  
HETATM   80  H   UNL     1       8.917   0.158   5.501  1.00  0.00           H  
HETATM   81  H   UNL     1       7.547   0.829   6.419  1.00  0.00           H  
HETATM   82  H   UNL     1       7.672  -0.927   6.163  1.00  0.00           H  
CONECT    1    2    2    6   10                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   43                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    9   11   11                                       
CONECT    8    2   33   44                                            
CONECT    9    7   12   45                                            
CONECT   10    1   46                                                 
CONECT   11    7    7                                                 
CONECT   12    9   13   23   47                                       
CONECT   13   12   15   28   48                                       
CONECT   14   16   23                                                 
CONECT   15   13   19                                                 
CONECT   16   14   17   30   49                                       
CONECT   17   16   18   25   50                                       
CONECT   18   17   19   21   51                                       
CONECT   19   15   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   52   53                                       
CONECT   22   21   32   54   55                                       
CONECT   23   12   14   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   17   26                                                 
CONECT   26   25   27   29   29                                       
CONECT   27   26   31   35   56                                       
CONECT   28   13   57   58   59                                       
CONECT   29   26   26                                                 
CONECT   30   16   60   61   62                                       
CONECT   31   27   34   63   64                                       
CONECT   32   22   36   65   66                                       
CONECT   33    8   37   37   67                                       
CONECT   34   31   68   69   70                                       
CONECT   35   27   71   72   73                                       
CONECT   36   32   38   74   75                                       
CONECT   37   33   33                                                 
CONECT   38   36   39   76   77                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   80   81   82                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
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   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
