COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.257   1.378   0.586  1.00  0.00           C  
HETATM    2  C   UNL     1       0.567   1.988  -0.277  1.00  0.00           C  
HETATM    3  C   UNL     1       3.967   0.886   0.653  1.00  0.00           C  
HETATM    4  C   UNL     1       3.725  -0.461   0.430  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.885   2.498  -0.273  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.820   0.247  -0.055  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.444  -0.175   0.258  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.035  -1.393   0.973  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.691  -1.368   1.037  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.124   1.777  -0.807  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.299   0.481  -0.056  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.241  -0.238   0.427  1.00  0.00           N  
HETATM   13  N   UNL     1       2.415  -0.959   0.498  1.00  0.00           N  
HETATM   14  C   UNL     1       6.314   0.524   0.296  1.00  0.00           C  
HETATM   15  N   UNL     1       0.108  -0.571   0.468  1.00  0.00           N  
HETATM   16  C   UNL     1       4.784  -1.320   0.139  1.00  0.00           C  
HETATM   17  C   UNL     1       6.077  -0.826   0.078  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.733   1.552  -0.089  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.933   0.222   0.278  1.00  0.00           C  
HETATM   20  C   UNL     1       1.340  -0.111   0.293  1.00  0.00           C  
HETATM   21  N   UNL     1       1.566   1.140  -0.084  1.00  0.00           N  
HETATM   22  N   UNL     1       4.541  -2.682  -0.086  1.00  0.00           N  
HETATM   23  N   UNL     1       7.618   1.026   0.224  1.00  0.00           N  
HETATM   24  C   UNL     1       8.229   0.721  -1.077  1.00  0.00           C  
HETATM   25  C   UNL     1       9.677   1.215  -1.087  1.00  0.00           C  
HETATM   26  N   UNL     1       9.700   2.661  -0.824  1.00  0.00           N  
HETATM   27  C   UNL     1       9.089   2.967   0.477  1.00  0.00           C  
HETATM   28  C   UNL     1       7.641   2.472   0.487  1.00  0.00           C  
HETATM   29  C   UNL     1      11.069   3.188  -0.900  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.863  -0.518   0.326  1.00  0.00           N  
HETATM   31  O   UNL     1      -6.016   1.285  -0.657  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.161  -0.177  -0.067  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.711   1.036   0.325  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.993   1.370  -0.065  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.729   0.498  -0.846  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.184  -0.711  -1.238  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.900  -1.049  -0.856  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.910   1.987   1.177  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.308  -2.366  -1.284  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.506  -3.400  -0.173  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.566   3.369   1.153  1.00  0.00           C  
HETATM   42  C   UNL     1       5.530  -3.580   0.091  1.00  0.00           C  
HETATM   43  C   UNL     1       5.307  -5.027  -0.269  1.00  0.00           C  
HETATM   44  O   UNL     1       6.599  -3.225   0.540  1.00  0.00           O  
HETATM   45  C   UNL     1       6.577  -5.827   0.027  1.00  0.00           C  
HETATM   46  H   UNL     1       5.443   2.428   0.756  1.00  0.00           H  
HETATM   47  H   UNL     1       0.764   3.005  -0.582  1.00  0.00           H  
HETATM   48  H   UNL     1       3.147   1.552   0.879  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.595   3.279  -0.976  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.126   2.956   0.687  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.686  -2.157   1.370  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.070  -2.122   1.497  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.003   2.405  -0.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.995   1.569  -1.869  1.00  0.00           H  
HETATM   55  H   UNL     1       2.262  -1.898   0.689  1.00  0.00           H  
HETATM   56  H   UNL     1       6.899  -1.489  -0.148  1.00  0.00           H  
HETATM   57  H   UNL     1       3.662  -2.978  -0.368  1.00  0.00           H  
HETATM   58  H   UNL     1       8.211  -0.356  -1.243  1.00  0.00           H  
HETATM   59  H   UNL     1       7.669   1.220  -1.868  1.00  0.00           H  
HETATM   60  H   UNL     1      10.244   0.696  -0.314  1.00  0.00           H  
HETATM   61  H   UNL     1      10.123   1.016  -2.061  1.00  0.00           H  
HETATM   62  H   UNL     1       9.649   2.467   1.268  1.00  0.00           H  
HETATM   63  H   UNL     1       9.107   4.044   0.643  1.00  0.00           H  
HETATM   64  H   UNL     1       7.074   2.991  -0.286  1.00  0.00           H  
HETATM   65  H   UNL     1       7.195   2.672   1.461  1.00  0.00           H  
HETATM   66  H   UNL     1      11.473   3.007  -1.896  1.00  0.00           H  
HETATM   67  H   UNL     1      11.057   4.260  -0.702  1.00  0.00           H  
HETATM   68  H   UNL     1      11.693   2.688  -0.159  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.712  -1.305   0.873  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.421   2.314   0.239  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.731   0.761  -1.149  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.761  -1.390  -1.848  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.877   1.618   2.202  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.895   2.060   0.784  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.803  -2.710  -2.192  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.242  -2.240  -1.477  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.088  -3.017   0.758  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.571  -3.592  -0.041  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.001  -4.327  -0.445  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.670   3.705   0.121  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.550   3.312   1.617  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.945   4.076   1.704  1.00  0.00           H  
HETATM   83  H   UNL     1       4.481  -5.424   0.321  1.00  0.00           H  
HETATM   84  H   UNL     1       5.067  -5.104  -1.329  1.00  0.00           H  
HETATM   85  H   UNL     1       6.416  -6.873  -0.233  1.00  0.00           H  
HETATM   86  H   UNL     1       7.403  -5.429  -0.562  1.00  0.00           H  
HETATM   87  H   UNL     1       6.817  -5.749   1.088  1.00  0.00           H  
CONECT    1    3    3   14   46                                       
CONECT    2   18   21   21   47                                       
CONECT    3    1    1    4   48                                       
CONECT    4    3   13   16   16                                       
CONECT    5   10   18   49   50                                       
CONECT    6   30   31   31    7                                       
CONECT    7    6   11   11    8                                       
CONECT    8    7    9    9   51                                       
CONECT    9    8    8   12   52                                       
CONECT   10   11    5   53   54                                       
CONECT   11    7    7   10   12                                       
CONECT   12   11    9   19                                            
CONECT   13   20    4   55                                            
CONECT   14    1   23   17   17                                       
CONECT   15   19   20   20                                            
CONECT   16    4    4   17   22                                       
CONECT   17   14   14   16   56                                       
CONECT   18    5   19   19    2                                       
CONECT   19   12   18   18   15                                       
CONECT   20   15   15   21   13                                       
CONECT   21    2    2   20                                            
CONECT   22   16   42   57                                            
CONECT   23   24   14   28                                            
CONECT   24   25   23   58   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   29   27                                            
CONECT   27   26   28   62   63                                       
CONECT   28   23   27   64   65                                       
CONECT   29   26   66   67   68                                       
CONECT   30   32    6   69                                            
CONECT   31    6    6                                                 
CONECT   32   37   37   33   30                                       
CONECT   33   34   34   32   38                                       
CONECT   34   35   33   33   70                                       
CONECT   35   36   36   34   71                                       
CONECT   36   35   35   37   72                                       
CONECT   37   36   39   32   32                                       
CONECT   38   33   41   73   74                                       
CONECT   39   37   40   75   76                                       
CONECT   40   39   77   78   79                                       
CONECT   41   38   80   81   82                                       
CONECT   42   22   44   44   43                                       
CONECT   43   42   45   83   84                                       
CONECT   44   42   42                                                 
CONECT   45   43   85   86   87                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   17                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
