COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.985   8.490   1.194  1.00  0.00           C  
HETATM    2  C   UNL     1       5.766   7.984  -0.233  1.00  0.00           C  
HETATM    3  N   UNL     1       4.905   6.800  -0.205  1.00  0.00           N1+
HETATM    4  C   UNL     1       5.459   5.608  -0.090  1.00  0.00           C  
HETATM    5  C   UNL     1       4.685   4.467  -0.059  1.00  0.00           C  
HETATM    6  C   UNL     1       3.597   6.958  -0.289  1.00  0.00           C  
HETATM    7  C   UNL     1       2.750   5.870  -0.266  1.00  0.00           C  
HETATM    8  C   UNL     1       3.295   4.588  -0.151  1.00  0.00           C  
HETATM    9  C   UNL     1       2.422   3.389  -0.122  1.00  0.00           C  
HETATM   10  C   UNL     1       2.985   2.119   0.003  1.00  0.00           C  
HETATM   11  C   UNL     1       2.172   1.006   0.030  1.00  0.00           C  
HETATM   12  C   UNL     1       1.038   3.530  -0.215  1.00  0.00           C  
HETATM   13  C   UNL     1       0.229   2.415  -0.188  1.00  0.00           C  
HETATM   14  C   UNL     1       0.793   1.149  -0.069  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.029   0.020  -0.042  1.00  0.00           N  
HETATM   16  C   UNL     1       0.538  -1.255  -0.029  1.00  0.00           C  
HETATM   17  C   UNL     1       0.774  -1.898   1.181  1.00  0.00           C  
HETATM   18  C   UNL     1       1.333  -3.157   1.196  1.00  0.00           C  
HETATM   19  C   UNL     1       0.862  -1.884  -1.227  1.00  0.00           C  
HETATM   20  C   UNL     1       1.421  -3.143  -1.216  1.00  0.00           C  
HETATM   21  C   UNL     1       1.663  -3.787  -0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       2.265  -5.142   0.011  1.00  0.00           C  
HETATM   23  C   UNL     1       2.603  -5.790  -1.181  1.00  0.00           C  
HETATM   24  C   UNL     1       3.161  -7.050  -1.123  1.00  0.00           C  
HETATM   25  C   UNL     1       2.516  -5.804   1.216  1.00  0.00           C  
HETATM   26  C   UNL     1       3.078  -7.064   1.184  1.00  0.00           C  
HETATM   27  N   UNL     1       3.376  -7.643   0.036  1.00  0.00           N1+
HETATM   28  C   UNL     1       3.970  -8.982   0.050  1.00  0.00           C  
HETATM   29  C   UNL     1       5.495  -8.862   0.110  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.417   0.167  -0.029  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.128   0.156  -1.224  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.498   0.301  -1.213  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.088   0.319   1.180  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.458   0.463   1.196  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.172   0.459  -0.002  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.647   0.615   0.012  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.340   0.774   1.215  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.712   0.916   1.183  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.380   0.613  -1.178  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.751   0.761  -1.120  1.00  0.00           C  
HETATM   41  N   UNL     1      -8.368   0.902   0.038  1.00  0.00           N1+
HETATM   42  C   UNL     1      -9.825   1.056   0.052  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.482  -0.322   0.152  1.00  0.00           C  
HETATM   44  H   UNL     1       5.024   8.750   1.639  1.00  0.00           H  
HETATM   45  H   UNL     1       6.460   7.709   1.788  1.00  0.00           H  
HETATM   46  H   UNL     1       6.626   9.371   1.173  1.00  0.00           H  
HETATM   47  H   UNL     1       5.291   8.765  -0.826  1.00  0.00           H  
HETATM   48  H   UNL     1       6.727   7.724  -0.677  1.00  0.00           H  
HETATM   49  H   UNL     1       6.534   5.525  -0.020  1.00  0.00           H  
HETATM   50  H   UNL     1       5.145   3.494   0.034  1.00  0.00           H  
HETATM   51  H   UNL     1       3.186   7.952  -0.377  1.00  0.00           H  
HETATM   52  H   UNL     1       1.681   6.007  -0.335  1.00  0.00           H  
HETATM   53  H   UNL     1       4.056   2.008   0.079  1.00  0.00           H  
HETATM   54  H   UNL     1       2.608   0.023   0.126  1.00  0.00           H  
HETATM   55  H   UNL     1       0.600   4.513  -0.307  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.843   2.524  -0.260  1.00  0.00           H  
HETATM   57  H   UNL     1       0.518  -1.410   2.110  1.00  0.00           H  
HETATM   58  H   UNL     1       1.517  -3.656   2.137  1.00  0.00           H  
HETATM   59  H   UNL     1       0.674  -1.384  -2.166  1.00  0.00           H  
HETATM   60  H   UNL     1       1.671  -3.631  -2.147  1.00  0.00           H  
HETATM   61  H   UNL     1       2.429  -5.312  -2.134  1.00  0.00           H  
HETATM   62  H   UNL     1       3.425  -7.559  -2.038  1.00  0.00           H  
HETATM   63  H   UNL     1       2.274  -5.336   2.159  1.00  0.00           H  
HETATM   64  H   UNL     1       3.275  -7.583   2.110  1.00  0.00           H  
HETATM   65  H   UNL     1       3.614  -9.528   0.923  1.00  0.00           H  
HETATM   66  H   UNL     1       3.683  -9.516  -0.855  1.00  0.00           H  
HETATM   67  H   UNL     1       5.782  -8.328   1.015  1.00  0.00           H  
HETATM   68  H   UNL     1       5.937  -9.859   0.120  1.00  0.00           H  
HETATM   69  H   UNL     1       5.851  -8.316  -0.764  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.606   0.034  -2.161  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.050   0.293  -2.141  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.534   0.323   2.107  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.978   0.581   2.135  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.810   0.785   2.156  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.257   1.039   2.108  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.882   0.497  -2.129  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.326   0.760  -2.033  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.118   1.662   0.910  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.147   1.547  -0.866  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.189  -0.928  -0.705  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.159  -0.812   1.071  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.566  -0.208   0.163  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4    8    8   50                                       
CONECT    6    3    7    7   51                                       
CONECT    7    6    6    8   52                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   12   12   10                                       
CONECT   10    9   11   11   53                                       
CONECT   11   10   10   14   54                                       
CONECT   12    9    9   13   55                                       
CONECT   13   12   14   14   56                                       
CONECT   14   13   13   11   15                                       
CONECT   15   14   30   16                                            
CONECT   16   15   19   19   17                                       
CONECT   17   16   18   18   57                                       
CONECT   18   17   17   21   58                                       
CONECT   19   16   16   20   59                                       
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   18   22                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22   24   61                                       
CONECT   24   23   27   27   62                                       
CONECT   25   22   26   26   63                                       
CONECT   26   25   25   27   64                                       
CONECT   27   24   24   26   28                                       
CONECT   28   27   29   65   66                                       
CONECT   29   28   67   68   69                                       
CONECT   30   31   31   15   33                                       
CONECT   31   32   30   30   70                                       
CONECT   32   35   35   31   71                                       
CONECT   33   34   34   30   72                                       
CONECT   34   35   33   33   73                                       
CONECT   35   36   32   32   34                                       
CONECT   36   39   35   37   37                                       
CONECT   37   36   36   38   74                                       
CONECT   38   41   41   37   75                                       
CONECT   39   40   40   36   76                                       
CONECT   40   39   39   41   77                                       
CONECT   41   40   42   38   38                                       
CONECT   42   43   41   78   79                                       
CONECT   43   42   80   81   82                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
