COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.518  -0.651   1.011  1.00  0.00           C  
HETATM    2  C   UNL     1       0.928  -2.246  -0.887  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.521  -4.211  -0.413  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.633  -3.197  -1.899  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.687  -2.663  -2.658  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.533  -1.456  -3.269  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.300  -1.227  -2.428  1.00  0.00           C  
HETATM    8  C   UNL     1       7.291  -0.638  -0.856  1.00  0.00           C  
HETATM    9  C   UNL     1       7.138   0.040   0.507  1.00  0.00           C  
HETATM   10  C   UNL     1       8.404   0.838   0.825  1.00  0.00           C  
HETATM   11  C   UNL     1       8.553   1.980  -0.182  1.00  0.00           C  
HETATM   12  C   UNL     1       6.921  -1.024   1.585  1.00  0.00           C  
HETATM   13  C   UNL     1       5.569  -1.706   1.364  1.00  0.00           C  
HETATM   14  C   UNL     1       5.151  -2.435   2.643  1.00  0.00           C  
HETATM   15  C   UNL     1       5.687  -2.713   0.218  1.00  0.00           C  
HETATM   16  C   UNL     1       2.142  -0.567   0.477  1.00  0.00           C  
HETATM   17  C   UNL     1       0.811  -1.239   0.259  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.367  -3.004  -1.024  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.711  -4.926  -0.528  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.754  -4.440  -1.254  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.343  -0.740  -3.155  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.422  -2.469  -1.782  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.499  -0.468   0.169  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.841   0.202   0.127  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.191   0.694   1.533  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.649   0.427   1.810  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.599   1.377   1.486  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.935   1.133   1.740  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.322  -0.062   2.318  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.372  -1.012   2.642  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.036  -0.770   2.383  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.015   1.729  -0.749  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.729   2.753   0.351  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.307   4.058  -0.274  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.984   5.220   0.048  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.588   6.415  -0.533  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.521   6.397  -1.418  1.00  0.00           C  
HETATM   38  C   UNL     1       0.107   5.196  -1.691  1.00  0.00           C  
HETATM   39  N   UNL     1       9.769   2.747   0.124  1.00  0.00           N  
HETATM   40  N   UNL     1       3.224  -1.304   0.800  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.196  -0.229  -0.079  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.425   0.461  -0.142  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.293   4.079  -1.117  1.00  0.00           N  
HETATM   44  O   UNL     1       2.241   0.636   0.360  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.839  -1.521   0.673  1.00  0.00           O  
HETATM   46  H   UNL     1       4.435   0.066   1.827  1.00  0.00           H  
HETATM   47  H   UNL     1       4.816  -0.132   0.100  1.00  0.00           H  
HETATM   48  H   UNL     1       1.139  -1.716  -1.816  1.00  0.00           H  
HETATM   49  H   UNL     1       1.738  -2.944  -0.675  1.00  0.00           H  
HETATM   50  H   UNL     1       0.293  -4.622   0.166  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.615  -3.206  -2.756  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.345  -1.048  -3.852  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.384  -0.661  -2.348  1.00  0.00           H  
HETATM   54  H   UNL     1       6.306  -0.862  -1.264  1.00  0.00           H  
HETATM   55  H   UNL     1       7.823   0.027  -1.535  1.00  0.00           H  
HETATM   56  H   UNL     1       7.855  -1.564  -0.739  1.00  0.00           H  
HETATM   57  H   UNL     1       6.281   0.713   0.483  1.00  0.00           H  
HETATM   58  H   UNL     1       8.331   1.248   1.832  1.00  0.00           H  
HETATM   59  H   UNL     1       9.272   0.182   0.761  1.00  0.00           H  
HETATM   60  H   UNL     1       8.625   1.570  -1.189  1.00  0.00           H  
HETATM   61  H   UNL     1       7.685   2.636  -0.118  1.00  0.00           H  
HETATM   62  H   UNL     1       7.716  -1.767   1.527  1.00  0.00           H  
HETATM   63  H   UNL     1       6.935  -0.553   2.568  1.00  0.00           H  
HETATM   64  H   UNL     1       5.145  -1.732   3.476  1.00  0.00           H  
HETATM   65  H   UNL     1       4.153  -2.852   2.513  1.00  0.00           H  
HETATM   66  H   UNL     1       5.857  -3.239   2.850  1.00  0.00           H  
HETATM   67  H   UNL     1       6.398  -3.492   0.491  1.00  0.00           H  
HETATM   68  H   UNL     1       4.712  -3.161   0.028  1.00  0.00           H  
HETATM   69  H   UNL     1       6.034  -2.202  -0.680  1.00  0.00           H  
HETATM   70  H   UNL     1       0.513  -1.758   1.170  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.807  -5.882  -0.033  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.671  -5.005  -1.334  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.247   0.214  -3.650  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.034  -0.869   0.058  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.453   0.729  -0.605  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.580   0.166   2.265  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.998   1.764   1.602  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.297   2.311   1.034  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.678   1.875   1.487  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.366  -0.253   2.517  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.674  -1.946   3.093  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.294  -1.514   2.632  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.814   2.100  -1.392  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.114   1.574  -1.343  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.629   2.909   0.945  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.930   2.383   0.993  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.811   5.196   0.742  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.098   7.338  -0.301  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.186   7.309  -1.889  1.00  0.00           H  
HETATM   90  H   UNL     1       0.939   5.174  -2.380  1.00  0.00           H  
HETATM   91  H   UNL     1      10.580   2.148   0.135  1.00  0.00           H  
HETATM   92  H   UNL     1       9.889   3.508  -0.527  1.00  0.00           H  
HETATM   93  H   UNL     1       3.145  -2.266   0.893  1.00  0.00           H  
HETATM   94  H   UNL     1       0.076   0.610  -0.481  1.00  0.00           H  
CONECT    1   13   40   46   47                                       
CONECT    2   17   18   48   49                                       
CONECT    3   18   18   19   50                                       
CONECT    4   22   20    5    5                                       
CONECT    5    4    4    6   51                                       
CONECT    6   21   21    5   52                                       
CONECT    7   22   22   21   53                                       
CONECT    8    9   54   55   56                                       
CONECT    9   10    8   12   57                                       
CONECT   10   11    9   58   59                                       
CONECT   11   39   10   60   61                                       
CONECT   12    9   13   62   63                                       
CONECT   13   12   15   14    1                                       
CONECT   14   13   64   65   66                                       
CONECT   15   13   67   68   69                                       
CONECT   16   40   44   44   17                                       
CONECT   17   16    2   41   70                                       
CONECT   18    2    3    3   22                                       
CONECT   19    3   20   20   71                                       
CONECT   20   19   19    4   72                                       
CONECT   21    7    6    6   73                                       
CONECT   22   18    7    7    4                                       
CONECT   23   41   45   45   42                                       
CONECT   24   42   25   74   75                                       
CONECT   25   24   26   76   77                                       
CONECT   26   25   31   31   27                                       
CONECT   27   26   28   28   78                                       
CONECT   28   27   27   29   79                                       
CONECT   29   30   30   28   80                                       
CONECT   30   31   29   29   81                                       
CONECT   31   26   26   30   82                                       
CONECT   32   33   42   83   84                                       
CONECT   33   34   32   85   86                                       
CONECT   34   35   33   43   43                                       
CONECT   35   36   36   34   87                                       
CONECT   36   35   35   37   88                                       
CONECT   37   36   38   38   89                                       
CONECT   38   37   37   43   90                                       
CONECT   39   11   91   92                                            
CONECT   40    1   16   93                                            
CONECT   41   17   23   94                                            
CONECT   42   23   32   24                                            
CONECT   43   34   34   38                                            
CONECT   44   16   16                                                 
CONECT   45   23   23                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
