COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.467   0.399  -0.107  1.00  0.00           N  
HETATM    2  N   UNL     1       0.927  -0.075   1.347  1.00  0.00           N  
HETATM    3  C   UNL     1       4.595   2.651  -0.202  1.00  0.00           C  
HETATM    4  C   UNL     1       4.774   4.012  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1       6.001   4.507   0.360  1.00  0.00           C  
HETATM    6  C   UNL     1       7.051   3.642   0.607  1.00  0.00           C  
HETATM    7  C   UNL     1       6.878   2.281   0.452  1.00  0.00           C  
HETATM    8  C   UNL     1       6.588  -2.975  -1.003  1.00  0.00           C  
HETATM    9  C   UNL     1       8.097  -2.734  -1.072  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.216  -0.957   1.592  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.400  -1.160   2.754  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.984  -1.143   0.309  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.256  -1.333  -0.859  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.901  -1.513  -2.065  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.007  -1.316  -0.954  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.520  -0.122   0.357  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.018   1.522  -0.796  1.00  0.00           C  
HETATM   18  C   UNL     1       6.193   5.992   0.531  1.00  0.00           C  
HETATM   19  C   UNL     1       5.646   1.780   0.052  1.00  0.00           C  
HETATM   20  N   UNL     1       6.428  -0.510  -0.568  1.00  0.00           N  
HETATM   21  C   UNL     1       5.896  -1.706  -0.575  1.00  0.00           C  
HETATM   22  C   UNL     1       6.074  -3.396  -2.381  1.00  0.00           C  
HETATM   23  C   UNL     1       6.293  -4.082   0.011  1.00  0.00           C  
HETATM   24  C   UNL     1       4.578  -1.607  -0.120  1.00  0.00           C  
HETATM   25  C   UNL     1       4.331  -0.299   0.164  1.00  0.00           C  
HETATM   26  N   UNL     1       3.135   0.228   0.651  1.00  0.00           N  
HETATM   27  C   UNL     1       2.083  -0.584   0.877  1.00  0.00           C  
HETATM   28  O   UNL     1       2.177  -1.776   0.656  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.107  -0.340   2.667  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.212  -0.916   1.484  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.319  -1.819   1.452  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.483  -1.350   0.925  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.645  -2.145   0.974  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.806  -1.674   0.447  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.828  -0.394  -0.141  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.776   0.323  -0.724  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.287   1.450  -1.106  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.097   2.681  -1.076  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.031   2.928  -2.585  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.628   3.935  -0.377  1.00  0.00           C  
HETATM   41  N   UNL     1      -6.681   0.359  -0.175  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.360  -1.131   0.261  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.283  -1.506  -2.112  1.00  0.00           C  
HETATM   44  H   UNL     1       0.853   0.876   1.523  1.00  0.00           H  
HETATM   45  H   UNL     1       3.637   2.265  -0.517  1.00  0.00           H  
HETATM   46  H   UNL     1       3.956   4.689  -0.237  1.00  0.00           H  
HETATM   47  H   UNL     1       8.009   4.032   0.918  1.00  0.00           H  
HETATM   48  H   UNL     1       7.699   1.606   0.645  1.00  0.00           H  
HETATM   49  H   UNL     1       8.463  -2.434  -0.090  1.00  0.00           H  
HETATM   50  H   UNL     1       8.597  -3.652  -1.381  1.00  0.00           H  
HETATM   51  H   UNL     1       8.307  -1.946  -1.794  1.00  0.00           H  
HETATM   52  H   UNL     1       0.145  -1.926   1.938  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.157  -2.220   2.837  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.976  -0.847   3.625  1.00  0.00           H  
HETATM   55  H   UNL     1       0.823  -1.339  -0.822  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.328  -1.659  -2.969  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.086  -1.311  -0.992  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.625   0.483   0.328  1.00  0.00           H  
HETATM   59  H   UNL     1       5.946   6.275   1.554  1.00  0.00           H  
HETATM   60  H   UNL     1       7.231   6.250   0.323  1.00  0.00           H  
HETATM   61  H   UNL     1       5.540   6.524  -0.161  1.00  0.00           H  
HETATM   62  H   UNL     1       6.284  -2.607  -3.103  1.00  0.00           H  
HETATM   63  H   UNL     1       6.574  -4.314  -2.690  1.00  0.00           H  
HETATM   64  H   UNL     1       4.999  -3.567  -2.332  1.00  0.00           H  
HETATM   65  H   UNL     1       5.218  -4.253   0.060  1.00  0.00           H  
HETATM   66  H   UNL     1       6.793  -5.000  -0.298  1.00  0.00           H  
HETATM   67  H   UNL     1       6.659  -3.782   0.993  1.00  0.00           H  
HETATM   68  H   UNL     1       3.880  -2.424  -0.013  1.00  0.00           H  
HETATM   69  H   UNL     1       3.060   1.179   0.827  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.593  -0.362   3.628  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.344   0.691   2.401  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.584   0.109   1.487  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.614  -3.125   1.428  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.703  -2.275   0.479  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.099   2.452  -0.702  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.365   3.766  -2.787  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.653   2.035  -3.082  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.029   3.158  -2.959  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.674   3.759   0.698  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.962   4.773  -0.580  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.625   4.165  -0.752  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.793  -1.649  -3.053  1.00  0.00           H  
CONECT    1   20   19   25                                            
CONECT    2   27   10   44                                            
CONECT    3   19   19    4   45                                       
CONECT    4    5    5    3   46                                       
CONECT    5    6   18    4    4                                       
CONECT    6    7    7    5   47                                       
CONECT    7    6    6   19   48                                       
CONECT    8    9   23   21   22                                       
CONECT    9    8   49   50   51                                       
CONECT   10    2   12   29   52                                       
CONECT   11   29   30   53   54                                       
CONECT   12   13   10   42   42                                       
CONECT   13   14   14   12   55                                       
CONECT   14   13   13   43   56                                       
CONECT   15   43   43   42   57                                       
CONECT   16   32   32   41   58                                       
CONECT   17   41   37   37   38                                       
CONECT   18    5   59   60   61                                       
CONECT   19    7    1    3    3                                       
CONECT   20   21   21    1                                            
CONECT   21    8   20   20   24                                       
CONECT   22    8   62   63   64                                       
CONECT   23    8   65   66   67                                       
CONECT   24   21   25   25   68                                       
CONECT   25    1   24   24   26                                       
CONECT   26   25   27   69                                            
CONECT   27   26   28   28    2                                       
CONECT   28   27   27                                                 
CONECT   29   10   11   70   71                                       
CONECT   30   42   11   31   72                                       
CONECT   31   30   32                                                 
CONECT   32   33   31   16   16                                       
CONECT   33   34   34   32   73                                       
CONECT   34   33   33   35   74                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35   37                                            
CONECT   37   36   17   17                                            
CONECT   38   17   39   40   75                                       
CONECT   39   38   76   77   78                                       
CONECT   40   38   79   80   81                                       
CONECT   41   35   16   17                                            
CONECT   42   12   12   15   30                                       
CONECT   43   14   15   15   82                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
