COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.369  -1.312  -0.271  1.00  0.00           C  
HETATM    2  C   UNL     1       2.433  -2.190  -0.341  1.00  0.00           C  
HETATM    3  C   UNL     1       3.833  -1.991  -0.430  1.00  0.00           C  
HETATM    4  N   UNL     1       4.365  -0.709  -0.460  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.509  -2.232   2.842  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.624  -1.142   2.233  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.122  -0.047   0.161  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.732  -0.622   0.067  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.543  -1.997   0.048  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.251  -2.485  -0.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.190  -1.584  -0.104  1.00  0.00           C  
HETATM   12  C   UNL     1       0.201  -2.092  -0.198  1.00  0.00           C  
HETATM   13  C   UNL     1       5.146  -0.250  -1.617  1.00  0.00           C  
HETATM   14  C   UNL     1       6.513   0.238  -1.123  1.00  0.00           C  
HETATM   15  C   UNL     1       6.820   2.405  -0.027  1.00  0.00           C  
HETATM   16  C   UNL     1       6.598   3.340   1.134  1.00  0.00           C  
HETATM   17  C   UNL     1       7.211   4.739   1.041  1.00  0.00           C  
HETATM   18  C   UNL     1       7.812   3.701   1.992  1.00  0.00           C  
HETATM   19  C   UNL     1       5.517   0.704   1.162  1.00  0.00           C  
HETATM   20  C   UNL     1       4.151   0.216   0.663  1.00  0.00           C  
HETATM   21  C   UNL     1       4.659  -3.096  -0.485  1.00  0.00           C  
HETATM   22  C   UNL     1       4.106  -4.380  -0.454  1.00  0.00           C  
HETATM   23  C   UNL     1       0.587  -3.415  -0.232  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.634   0.214  -0.005  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.673   0.191  -1.248  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.059   0.832  -1.146  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.104   3.056  -1.139  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.693   3.324  -2.526  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.029   4.368  -0.355  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.477   1.895   0.952  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.074   1.286   0.913  1.00  0.00           C  
HETATM   32  N   UNL     1       6.305   1.160   0.002  1.00  0.00           N  
HETATM   33  N   UNL     1       2.816  -4.561  -0.372  1.00  0.00           N  
HETATM   34  N   UNL     1       1.933  -3.474  -0.313  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.413  -0.276  -0.082  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.960   2.104  -0.419  1.00  0.00           N  
HETATM   37  O   UNL     1      -5.972  -0.959   0.859  1.00  0.00           O  
HETATM   38  O   UNL     1       7.463   2.773  -0.988  1.00  0.00           O  
HETATM   39  H   UNL     1       1.423  -0.233  -0.267  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.555  -1.934   2.768  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.358  -3.166   2.301  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.244  -2.372   3.890  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.775  -0.207   2.773  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.578  -1.439   2.306  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.385  -2.671   0.100  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.068  -3.549  -0.057  1.00  0.00           H  
HETATM   47  H   UNL     1       5.282  -1.074  -2.316  1.00  0.00           H  
HETATM   48  H   UNL     1       4.622   0.569  -2.110  1.00  0.00           H  
HETATM   49  H   UNL     1       7.108  -0.614  -0.792  1.00  0.00           H  
HETATM   50  H   UNL     1       7.030   0.756  -1.930  1.00  0.00           H  
HETATM   51  H   UNL     1       5.636   3.244   1.637  1.00  0.00           H  
HETATM   52  H   UNL     1       7.774   4.983   0.140  1.00  0.00           H  
HETATM   53  H   UNL     1       6.652   5.564   1.484  1.00  0.00           H  
HETATM   54  H   UNL     1       7.649   3.843   3.060  1.00  0.00           H  
HETATM   55  H   UNL     1       8.771   3.263   1.717  1.00  0.00           H  
HETATM   56  H   UNL     1       5.378   1.530   1.859  1.00  0.00           H  
HETATM   57  H   UNL     1       6.038  -0.113   1.661  1.00  0.00           H  
HETATM   58  H   UNL     1       3.558   1.067   0.328  1.00  0.00           H  
HETATM   59  H   UNL     1       3.631  -0.302   1.469  1.00  0.00           H  
HETATM   60  H   UNL     1       5.729  -2.968  -0.554  1.00  0.00           H  
HETATM   61  H   UNL     1       4.760  -5.238  -0.498  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.078  -4.265  -0.193  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.778   1.285   0.005  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.003   0.856  -1.793  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.749  -0.760  -1.774  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.448   1.015  -2.148  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.732   0.160  -0.613  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.103   2.638  -1.245  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.747   2.390  -3.084  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.694   3.743  -2.420  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.058   4.031  -3.060  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.037   4.715  -0.130  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.485   4.204   0.576  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.510   5.119  -0.951  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.153   1.218   1.475  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.444   2.851   1.474  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.722   1.117   1.931  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.395   1.969   0.402  1.00  0.00           H  
CONECT    1    2    2   12   39                                       
CONECT    2    3   34    1    1                                       
CONECT    3    4   21   21    2                                       
CONECT    4   13    3   20                                            
CONECT    5    6   40   41   42                                       
CONECT    6    5   37   43   44                                       
CONECT    7    8   37   25   31                                       
CONECT    8    9    9   24    7                                       
CONECT    9   10    8    8   45                                       
CONECT   10   11   11    9   46                                       
CONECT   11   12   10   10   35                                       
CONECT   12    1   23   23   11                                       
CONECT   13   14    4   47   48                                       
CONECT   14   13   32   49   50                                       
CONECT   15   38   38   32   16                                       
CONECT   16   15   17   18   51                                       
CONECT   17   18   16   52   53                                       
CONECT   18   17   16   54   55                                       
CONECT   19   32   20   56   57                                       
CONECT   20    4   19   58   59                                       
CONECT   21    3    3   22   60                                       
CONECT   22   21   33   33   61                                       
CONECT   23   34   12   12   62                                       
CONECT   24   35   35    8   63                                       
CONECT   25    7   26   64   65                                       
CONECT   26   25   36   66   67                                       
CONECT   27   36   29   28   68                                       
CONECT   28   27   69   70   71                                       
CONECT   29   27   72   73   74                                       
CONECT   30   31   36   75   76                                       
CONECT   31    7   30   77   78                                       
CONECT   32   14   15   19                                            
CONECT   33   22   22   34                                            
CONECT   34    2   33   23                                            
CONECT   35   11   24   24                                            
CONECT   36   26   30   27                                            
CONECT   37    6    7                                                 
CONECT   38   15   15                                                 
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
