COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.246  -1.296   0.672  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.809  -0.224   0.297  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.709   0.920   0.140  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.023   0.786   0.409  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.929   1.936   0.251  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.292   1.800   0.530  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.134   2.882   0.379  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.632   4.100  -0.046  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.284   4.241  -0.325  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.428   3.171  -0.173  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.494  -0.088   0.033  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.592  -1.230   0.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.610  -2.080  -1.076  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.981  -2.678  -1.261  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.280  -3.908  -0.706  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.537  -4.456  -0.876  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.496  -3.774  -1.602  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.197  -2.543  -2.157  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.941  -1.993  -1.982  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.192  -0.733   0.449  1.00  0.00           C  
HETATM   21  O   UNL     1       0.031   0.458   0.488  1.00  0.00           O  
HETATM   22  N   UNL     1       0.813  -1.613   0.631  1.00  0.00           N  
HETATM   23  C   UNL     1       2.191  -1.133   0.766  1.00  0.00           C  
HETATM   24  C   UNL     1       2.487  -0.844   2.239  1.00  0.00           C  
HETATM   25  C   UNL     1       3.791  -0.051   2.351  1.00  0.00           C  
HETATM   26  C   UNL     1       3.636   1.315   1.718  1.00  0.00           C  
HETATM   27  O   UNL     1       3.654   1.534   0.526  1.00  0.00           O  
HETATM   28  N   UNL     1       3.475   2.250   2.671  1.00  0.00           N  
HETATM   29  C   UNL     1       3.490   1.653   4.011  1.00  0.00           C  
HETATM   30  C   UNL     1       4.117   0.249   3.832  1.00  0.00           C  
HETATM   31  C   UNL     1       3.156  -2.203   0.252  1.00  0.00           C  
HETATM   32  O   UNL     1       3.132  -3.329   1.132  1.00  0.00           O  
HETATM   33  C   UNL     1       4.552  -1.637   0.199  1.00  0.00           C  
HETATM   34  O   UNL     1       5.422  -2.102   0.905  1.00  0.00           O  
HETATM   35  N   UNL     1       4.833  -0.613  -0.631  1.00  0.00           N  
HETATM   36  C   UNL     1       6.189  -0.063  -0.683  1.00  0.00           C  
HETATM   37  C   UNL     1       6.237   1.064  -1.683  1.00  0.00           C  
HETATM   38  C   UNL     1       6.536   0.800  -3.006  1.00  0.00           C  
HETATM   39  C   UNL     1       5.975   2.359  -1.278  1.00  0.00           C  
HETATM   40  C   UNL     1       6.019   3.392  -2.195  1.00  0.00           C  
HETATM   41  C   UNL     1       6.324   3.130  -3.517  1.00  0.00           C  
HETATM   42  C   UNL     1       6.580   1.834  -3.924  1.00  0.00           C  
HETATM   43  H   UNL     1      -4.321   1.872  -0.192  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.412  -0.166   0.741  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.685   0.850   0.861  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.187   2.779   0.594  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.296   4.943  -0.163  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.900   5.195  -0.657  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.376   3.283  -0.390  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.145   0.767  -0.265  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.921  -1.835   1.042  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.367  -1.454  -1.934  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.874  -2.879  -0.989  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.530  -4.441  -0.139  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.770  -5.417  -0.443  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.478  -4.202  -1.735  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.946  -2.011  -2.723  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.709  -1.030  -2.412  1.00  0.00           H  
HETATM   59  H   UNL     1       0.624  -2.563   0.672  1.00  0.00           H  
HETATM   60  H   UNL     1       2.316  -0.220   0.184  1.00  0.00           H  
HETATM   61  H   UNL     1       1.671  -0.262   2.667  1.00  0.00           H  
HETATM   62  H   UNL     1       2.586  -1.784   2.781  1.00  0.00           H  
HETATM   63  H   UNL     1       4.610  -0.597   1.883  1.00  0.00           H  
HETATM   64  H   UNL     1       3.363   3.197   2.494  1.00  0.00           H  
HETATM   65  H   UNL     1       4.100   2.255   4.685  1.00  0.00           H  
HETATM   66  H   UNL     1       2.474   1.566   4.397  1.00  0.00           H  
HETATM   67  H   UNL     1       3.643  -0.478   4.492  1.00  0.00           H  
HETATM   68  H   UNL     1       5.194   0.278   3.998  1.00  0.00           H  
HETATM   69  H   UNL     1       2.853  -2.516  -0.747  1.00  0.00           H  
HETATM   70  H   UNL     1       3.391  -3.123   2.041  1.00  0.00           H  
HETATM   71  H   UNL     1       4.136  -0.241  -1.195  1.00  0.00           H  
HETATM   72  H   UNL     1       6.466   0.314   0.302  1.00  0.00           H  
HETATM   73  H   UNL     1       6.887  -0.844  -0.982  1.00  0.00           H  
HETATM   74  H   UNL     1       6.737  -0.212  -3.323  1.00  0.00           H  
HETATM   75  H   UNL     1       5.736   2.564  -0.245  1.00  0.00           H  
HETATM   76  H   UNL     1       5.814   4.405  -1.879  1.00  0.00           H  
HETATM   77  H   UNL     1       6.358   3.937  -4.234  1.00  0.00           H  
HETATM   78  H   UNL     1       6.815   1.628  -4.958  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   11                                       
CONECT    3    4    4    2   43                                       
CONECT    4    5    3    3   44                                       
CONECT    5    6    6   10    4                                       
CONECT    6    7    5    5   45                                       
CONECT    7    8    8    6   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9    5   49                                       
CONECT   11    2   12   50                                            
CONECT   12   20   11   13   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   54                                       
CONECT   16   15   15   17   55                                       
CONECT   17   18   18   16   56                                       
CONECT   18   19   17   17   57                                       
CONECT   19   14   14   18   58                                       
CONECT   20   21   21   22   12                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   59                                            
CONECT   23   24   31   22   60                                       
CONECT   24   25   23   61   62                                       
CONECT   25   30   26   24   63                                       
CONECT   26   28   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   64                                            
CONECT   29   30   28   65   66                                       
CONECT   30   29   25   67   68                                       
CONECT   31   32   23   33   69                                       
CONECT   32   31   70                                                 
CONECT   33   35   31   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   71                                            
CONECT   36   35   37   72   73                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37   42   74                                       
CONECT   39   37   40   40   75                                       
CONECT   40   39   39   41   76                                       
CONECT   41   42   42   40   77                                       
CONECT   42   38   41   41   78                                       
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
