COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -11.164  -2.709  -1.197  1.00  0.00           N  
HETATM    2  C   UNL     1     -10.397  -1.554  -1.031  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.897  -0.324  -1.464  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.166   0.819  -1.313  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.906   0.760  -0.719  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.390  -0.480  -0.275  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.153  -1.638  -0.433  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.063  -0.505   0.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.500  -1.790   0.817  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.152  -1.951   2.159  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.628  -3.151   2.593  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.447  -4.193   1.702  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.790  -4.040   0.370  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.321  -2.847  -0.075  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.072   1.952  -0.527  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.508   3.213  -0.937  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.714   4.306  -0.747  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.461   4.175  -0.144  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.662   5.305   0.042  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.806   1.803   0.085  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.005   2.941   0.271  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.368   0.600   0.486  1.00  0.00           N1+
HETATM   23  C   UNL     1      -5.047   0.514   1.113  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.977   0.361   0.031  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.597   0.272   0.686  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.527   0.119  -0.397  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.148   0.029   0.259  1.00  0.00           C  
HETATM   28  C   UNL     1       0.923  -0.123  -0.824  1.00  0.00           C  
HETATM   29  C   UNL     1       2.281  -0.212  -0.178  1.00  0.00           C  
HETATM   30  N   UNL     1       2.824   0.670   0.669  1.00  0.00           N  
HETATM   31  N   UNL     1       3.992   0.255   1.011  1.00  0.00           N  
HETATM   32  N   UNL     1       4.257  -0.859   0.422  1.00  0.00           N  
HETATM   33  C   UNL     1       3.196  -1.196  -0.346  1.00  0.00           C  
HETATM   34  C   UNL     1       5.495  -1.630   0.561  1.00  0.00           C  
HETATM   35  C   UNL     1       6.692  -0.737   0.224  1.00  0.00           C  
HETATM   36  N   UNL     1       7.933  -1.510   0.363  1.00  0.00           N  
HETATM   37  C   UNL     1       8.977  -0.639   0.090  1.00  0.00           C  
HETATM   38  C   UNL     1       9.545  -0.582  -1.179  1.00  0.00           C  
HETATM   39  C   UNL     1       8.987  -1.503  -2.232  1.00  0.00           C  
HETATM   40  C   UNL     1      10.585   0.296  -1.427  1.00  0.00           C  
HETATM   41  C   UNL     1      11.235   0.406  -2.784  1.00  0.00           C  
HETATM   42  C   UNL     1      10.918  -0.821  -3.634  1.00  0.00           C  
HETATM   43  C   UNL     1       9.399  -1.036  -3.627  1.00  0.00           C  
HETATM   44  N   UNL     1      11.052   1.083  -0.472  1.00  0.00           N  
HETATM   45  C   UNL     1      10.556   1.082   0.766  1.00  0.00           C  
HETATM   46  C   UNL     1      11.074   1.932   1.760  1.00  0.00           C  
HETATM   47  C   UNL     1       9.485   0.216   1.093  1.00  0.00           C  
HETATM   48  C   UNL     1       8.967   0.212   2.395  1.00  0.00           C  
HETATM   49  C   UNL     1       9.494   1.049   3.332  1.00  0.00           C  
HETATM   50  C   UNL     1      10.544   1.906   3.013  1.00  0.00           C  
HETATM   51  H   UNL     1     -12.039  -2.655  -1.612  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.820  -3.567  -0.901  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.873  -0.277  -1.925  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.562   1.765  -1.653  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.774  -2.591  -0.096  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.293  -1.138   2.855  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.358  -3.277   3.631  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.036  -5.131   2.047  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.646  -4.857  -0.321  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.589  -2.729  -1.115  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.476   3.324  -1.405  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.056   5.279  -1.065  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.978   6.175  -0.247  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.791   5.220   0.460  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.035   2.850   0.736  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.857   1.422   1.686  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.016  -0.349   1.779  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.167  -0.547  -0.542  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.008   1.224  -0.635  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.408   1.179   1.259  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.567  -0.591   1.352  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.717  -0.789  -0.969  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.558   0.982  -1.062  1.00  0.00           H  
HETATM   74  H   UNL     1       0.042   0.937   0.832  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.117  -0.833   0.924  1.00  0.00           H  
HETATM   76  H   UNL     1       0.733  -1.031  -1.397  1.00  0.00           H  
HETATM   77  H   UNL     1       0.892   0.739  -1.489  1.00  0.00           H  
HETATM   78  H   UNL     1       3.097  -2.073  -0.968  1.00  0.00           H  
HETATM   79  H   UNL     1       5.587  -1.989   1.586  1.00  0.00           H  
HETATM   80  H   UNL     1       5.473  -2.479  -0.122  1.00  0.00           H  
HETATM   81  H   UNL     1       6.600  -0.378  -0.801  1.00  0.00           H  
HETATM   82  H   UNL     1       6.715   0.113   0.906  1.00  0.00           H  
HETATM   83  H   UNL     1       8.012  -1.761   1.337  1.00  0.00           H  
HETATM   84  H   UNL     1       7.899  -1.510  -2.163  1.00  0.00           H  
HETATM   85  H   UNL     1      10.865   1.299  -3.288  1.00  0.00           H  
HETATM   86  H   UNL     1      11.260  -0.658  -4.656  1.00  0.00           H  
HETATM   87  H   UNL     1       8.895  -0.099  -3.865  1.00  0.00           H  
HETATM   88  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   89  H   UNL     1      11.889   2.602   1.529  1.00  0.00           H  
HETATM   90  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   91  H   UNL     1       8.153  -0.449   2.653  1.00  0.00           H  
HETATM   92  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   93  H   UNL     1       9.092   1.048   4.335  1.00  0.00           H  
HETATM   94  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   95  H   UNL     1      10.945   2.561   3.773  1.00  0.00           H  
CONECT    1    2   51   52                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   53                                       
CONECT    4    3    5    5   54                                       
CONECT    5    4    4    6   15                                       
CONECT    6    5    7    7    8                                       
CONECT    7    2    6    6   55                                       
CONECT    8    6    9   22   22                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   56                                       
CONECT   11   10   12   12   57                                       
CONECT   12   11   11   13   58                                       
CONECT   13   12   14   14   59                                       
CONECT   14    9   13   13   60                                       
CONECT   15    5   16   16   20                                       
CONECT   16   15   15   17   61                                       
CONECT   17   16   18   18   62                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   63   64                                            
CONECT   20   15   21   21   22                                       
CONECT   21   18   20   20   65                                       
CONECT   22    8    8   20   23                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   24   26   70   71                                       
CONECT   26   25   27   72   73                                       
CONECT   27   26   28   74   75                                       
CONECT   28   27   29   76   77                                       
CONECT   29   28   30   33   33                                       
CONECT   30   29   31   31                                            
CONECT   31   30   30   32                                            
CONECT   32   31   33   34                                            
CONECT   33   29   29   32   78                                       
CONECT   34   32   35   79   80                                       
CONECT   35   34   36   81   82                                       
CONECT   36   35   37   83                                            
CONECT   37   36   38   38   47                                       
CONECT   38   37   37   39   40                                       
CONECT   39   38   43   43   84                                       
CONECT   40   38   41   44   44                                       
CONECT   41   40   42   42   85                                       
CONECT   42   41   41   43   86                                       
CONECT   43   39   39   42   87                                       
CONECT   44   40   40   45                                            
CONECT   45   44   46   47   47                                       
CONECT   46   45   50   88   89                                       
CONECT   47   37   45   45   48                                       
CONECT   48   47   49   90   91                                       
CONECT   49   48   50   92   93                                       
CONECT   50   46   49   94   95                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    7                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
