COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.829  -0.055   0.455  1.00  0.00           N  
HETATM    2  C   UNL     1       2.634  -0.764  -0.010  1.00  0.00           C  
HETATM    3  C   UNL     1       9.865   3.145  -0.489  1.00  0.00           C  
HETATM    4  C   UNL     1       8.682   2.550  -0.887  1.00  0.00           C  
HETATM    5  C   UNL     1       7.472   3.129  -0.555  1.00  0.00           C  
HETATM    6  C   UNL     1       7.444   4.304   0.174  1.00  0.00           C  
HETATM    7  C   UNL     1       8.627   4.899   0.571  1.00  0.00           C  
HETATM    8  C   UNL     1       9.838   4.320   0.239  1.00  0.00           C  
HETATM    9  C   UNL     1       6.182   2.481  -0.988  1.00  0.00           C  
HETATM   10  C   UNL     1       5.718   1.500   0.090  1.00  0.00           C  
HETATM   11  C   UNL     1       4.428   0.851  -0.343  1.00  0.00           C  
HETATM   12  C   UNL     1       5.051  -5.022   0.287  1.00  0.00           C  
HETATM   13  C   UNL     1       4.906  -5.307  -1.209  1.00  0.00           C  
HETATM   14  C   UNL     1       5.060  -6.343   1.059  1.00  0.00           C  
HETATM   15  C   UNL     1       6.363  -4.276   0.539  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.010   0.349   0.362  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.258  -0.391  -0.124  1.00  0.00           C  
HETATM   18  C   UNL     1       1.406   0.034   0.346  1.00  0.00           C  
HETATM   19  O   UNL     1       1.518   1.090   0.932  1.00  0.00           O  
HETATM   20  N   UNL     1       0.184  -0.427   0.015  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.451   0.384   0.223  1.00  0.00           N  
HETATM   22  O   UNL     1       3.930   1.145  -1.408  1.00  0.00           O  
HETATM   23  C   UNL     1       2.562  -2.137   0.659  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.674  -0.077  -0.109  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.879   0.706   0.241  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.752   1.922   0.916  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.876   2.653   1.243  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.132   2.187   0.905  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.272   0.974   0.232  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.143   0.234  -0.105  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.623   0.475  -0.128  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.754   1.217   0.205  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.007   0.748  -0.132  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.142  -0.455  -0.801  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.022  -1.196  -1.134  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.764  -0.734  -0.806  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.786  -1.135  -0.696  1.00  0.00           O  
HETATM   38  C   UNL     1       3.720  -2.984   0.195  1.00  0.00           C  
HETATM   39  N   UNL     1       3.927  -4.199   0.739  1.00  0.00           N  
HETATM   40  O   UNL     1       4.464  -2.571  -0.669  1.00  0.00           O  
HETATM   41  H   UNL     1       4.186  -0.235   1.339  1.00  0.00           H  
HETATM   42  H   UNL     1       2.684  -0.889  -1.092  1.00  0.00           H  
HETATM   43  H   UNL     1      10.811   2.690  -0.745  1.00  0.00           H  
HETATM   44  H   UNL     1       8.704   1.633  -1.457  1.00  0.00           H  
HETATM   45  H   UNL     1       6.498   4.756   0.434  1.00  0.00           H  
HETATM   46  H   UNL     1       8.606   5.816   1.141  1.00  0.00           H  
HETATM   47  H   UNL     1      10.762   4.784   0.549  1.00  0.00           H  
HETATM   48  H   UNL     1       5.421   3.247  -1.134  1.00  0.00           H  
HETATM   49  H   UNL     1       6.342   1.944  -1.923  1.00  0.00           H  
HETATM   50  H   UNL     1       6.479   0.733   0.236  1.00  0.00           H  
HETATM   51  H   UNL     1       5.558   2.036   1.026  1.00  0.00           H  
HETATM   52  H   UNL     1       4.901  -4.366  -1.759  1.00  0.00           H  
HETATM   53  H   UNL     1       5.743  -5.919  -1.545  1.00  0.00           H  
HETATM   54  H   UNL     1       3.972  -5.839  -1.389  1.00  0.00           H  
HETATM   55  H   UNL     1       4.125  -6.875   0.879  1.00  0.00           H  
HETATM   56  H   UNL     1       5.897  -6.955   0.723  1.00  0.00           H  
HETATM   57  H   UNL     1       5.163  -6.140   2.125  1.00  0.00           H  
HETATM   58  H   UNL     1       6.466  -4.073   1.605  1.00  0.00           H  
HETATM   59  H   UNL     1       7.200  -4.888   0.203  1.00  0.00           H  
HETATM   60  H   UNL     1       6.357  -3.335  -0.011  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.959   1.327  -0.115  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.060   0.474   1.444  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.208  -0.517  -1.206  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.309  -1.370   0.353  1.00  0.00           H  
HETATM   65  H   UNL     1       0.094  -1.271  -0.453  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.362   1.229   0.691  1.00  0.00           H  
HETATM   67  H   UNL     1       2.612  -2.017   1.742  1.00  0.00           H  
HETATM   68  H   UNL     1       1.625  -2.624   0.390  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.773   2.292   1.182  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.774   3.593   1.765  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.008   2.763   1.164  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.247  -0.704  -0.631  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.650   2.156   0.727  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.885   1.322   0.126  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.125  -0.820  -1.059  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.133  -2.135  -1.656  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.890  -1.313  -1.067  1.00  0.00           H  
HETATM   78  H   UNL     1       3.331  -4.529   1.429  1.00  0.00           H  
CONECT    1   11    2   41                                            
CONECT    2    1   23   18   42                                       
CONECT    3    8    8    4   43                                       
CONECT    4    3    5    5   44                                       
CONECT    5    4    4    6    9                                       
CONECT    6    7    7    5   45                                       
CONECT    7    8    6    6   46                                       
CONECT    8    3    3    7   47                                       
CONECT    9    5   10   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   22   22    1                                       
CONECT   12   13   39   15   14                                       
CONECT   13   12   52   53   54                                       
CONECT   14   12   55   56   57                                       
CONECT   15   12   58   59   60                                       
CONECT   16   20   17   61   62                                       
CONECT   17   16   21   63   64                                       
CONECT   18    2   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   16   65                                            
CONECT   21   17   24   66                                            
CONECT   22   11   11                                                 
CONECT   23    2   38   67   68                                       
CONECT   24   21   37   37   25                                       
CONECT   25   24   30   30   26                                       
CONECT   26   25   27   27   69                                       
CONECT   27   26   26   28   70                                       
CONECT   28   29   29   27   71                                       
CONECT   29   30   31   28   28                                       
CONECT   30   25   25   29   72                                       
CONECT   31   36   36   32   29                                       
CONECT   32   33   33   31   73                                       
CONECT   33   34   32   32   74                                       
CONECT   34   35   35   33   75                                       
CONECT   35   34   34   36   76                                       
CONECT   36   35   31   31   77                                       
CONECT   37   24   24                                                 
CONECT   38   40   40   39   23                                       
CONECT   39   12   38   78                                            
CONECT   40   38   38                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
