COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.239  -2.948   0.515  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.074  -1.667   0.474  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.507  -2.004   0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.086  -1.020   1.860  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.464  -0.694  -0.538  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.089  -0.369  -0.137  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.470   0.565  -1.087  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.063   0.874  -0.644  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.796   2.050   0.029  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.502   2.342   0.449  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.472   1.455   0.191  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.072   1.752   0.659  1.00  0.00           C  
HETATM   13  C   UNL     1       0.942   1.223  -0.353  1.00  0.00           C  
HETATM   14  C   UNL     1       2.355   1.371   0.219  1.00  0.00           C  
HETATM   15  C   UNL     1       3.347   0.743  -0.760  1.00  0.00           C  
HETATM   16  C   UNL     1       4.765   1.169  -0.437  1.00  0.00           C  
HETATM   17  C   UNL     1       5.284   0.452   0.777  1.00  0.00           C  
HETATM   18  O   UNL     1       6.071   1.001   1.520  1.00  0.00           O  
HETATM   19  C   UNL     1       4.838  -0.910   1.058  1.00  0.00           C  
HETATM   20  C   UNL     1       3.833  -1.473   0.314  1.00  0.00           C  
HETATM   21  C   UNL     1       3.162  -0.755  -0.817  1.00  0.00           C  
HETATM   22  C   UNL     1       1.710  -1.130  -0.866  1.00  0.00           C  
HETATM   23  O   UNL     1       1.424  -2.289  -1.097  1.00  0.00           O  
HETATM   24  C   UNL     1       0.684  -0.230  -0.650  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.624  -0.661  -0.772  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.735   0.268  -0.498  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.042  -0.027  -0.908  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.308  -1.189  -1.558  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.890  -1.926  -1.165  1.00  0.00           O  
HETATM   30  O   UNL     1       3.765  -1.203  -2.033  1.00  0.00           O  
HETATM   31  O   UNL     1       3.434  -2.719   0.610  1.00  0.00           O  
HETATM   32  C   UNL     1       5.468  -1.680   2.143  1.00  0.00           C  
HETATM   33  O   UNL     1       5.146  -1.478   3.298  1.00  0.00           O  
HETATM   34  N   UNL     1       6.401  -2.609   1.855  1.00  0.00           N  
HETATM   35  N   UNL     1       5.632   0.866  -1.583  1.00  0.00           N  
HETATM   36  C   UNL     1       5.231   1.639  -2.766  1.00  0.00           C  
HETATM   37  C   UNL     1       7.044   1.103  -1.253  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.241   3.535   1.133  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.505   4.700   0.278  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.018   3.609   2.378  1.00  0.00           C  
HETATM   41  H   UNL     1      -7.674  -3.641   1.236  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.231  -3.409  -0.473  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.219  -2.708   0.812  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.101  -1.091   0.027  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.498  -2.465  -0.932  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.941  -2.698   0.777  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.520  -1.714   2.581  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.065  -0.780   2.158  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.680  -0.107   1.831  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.456  -1.154  -1.525  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.059   0.220  -0.567  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.534  -1.206  -0.039  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.448   0.113  -2.079  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.051   1.487  -1.120  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.595   2.747   0.230  1.00  0.00           H  
HETATM   56  H   UNL     1       0.052   2.830   0.766  1.00  0.00           H  
HETATM   57  H   UNL     1       0.096   1.274   1.624  1.00  0.00           H  
HETATM   58  H   UNL     1       0.865   1.799  -1.275  1.00  0.00           H  
HETATM   59  H   UNL     1       2.589   2.428   0.348  1.00  0.00           H  
HETATM   60  H   UNL     1       2.415   0.863   1.181  1.00  0.00           H  
HETATM   61  H   UNL     1       3.110   1.129  -1.751  1.00  0.00           H  
HETATM   62  H   UNL     1       4.782   2.243  -0.251  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.539  -1.923  -0.973  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.898  -2.568  -0.442  1.00  0.00           H  
HETATM   65  H   UNL     1       3.681  -2.154  -2.187  1.00  0.00           H  
HETATM   66  H   UNL     1       3.839  -3.137   1.383  1.00  0.00           H  
HETATM   67  H   UNL     1       6.708  -2.722   0.942  1.00  0.00           H  
HETATM   68  H   UNL     1       6.766  -3.164   2.562  1.00  0.00           H  
HETATM   69  H   UNL     1       5.189   2.698  -2.511  1.00  0.00           H  
HETATM   70  H   UNL     1       5.958   1.486  -3.564  1.00  0.00           H  
HETATM   71  H   UNL     1       4.248   1.306  -3.101  1.00  0.00           H  
HETATM   72  H   UNL     1       7.334   0.466  -0.418  1.00  0.00           H  
HETATM   73  H   UNL     1       7.663   0.870  -2.119  1.00  0.00           H  
HETATM   74  H   UNL     1       7.182   2.149  -0.978  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.565   4.734   0.027  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.228   5.611   0.809  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.918   4.621  -0.636  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.804   2.734   2.992  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.745   4.512   2.924  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.082   3.635   2.141  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    5    4    3    1                                       
CONECT    3    2   44   45   46                                       
CONECT    4    2   47   48   49                                       
CONECT    5    6    2   50   51                                       
CONECT    6    7    5   52                                            
CONECT    7    8    6   53   54                                       
CONECT    8   27   27    9    7                                       
CONECT    9   10   10    8   55                                       
CONECT   10   11   38    9    9                                       
CONECT   11   12   26   26   10                                       
CONECT   12   13   11   56   57                                       
CONECT   13   24   12   14   58                                       
CONECT   14   15   13   59   60                                       
CONECT   15   21   16   14   61                                       
CONECT   16   17   15   35   62                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   32   20   20   17                                       
CONECT   20   31   19   19   21                                       
CONECT   21   20   22   30   15                                       
CONECT   22   23   23   21   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   25   13                                       
CONECT   25   29   24   24   26                                       
CONECT   26   25   11   11   27                                       
CONECT   27   26   28    8    8                                       
CONECT   28   27   63                                                 
CONECT   29   25   64                                                 
CONECT   30   21   65                                                 
CONECT   31   20   66                                                 
CONECT   32   34   33   33   19                                       
CONECT   33   32   32                                                 
CONECT   34   32   67   68                                            
CONECT   35   16   37   36                                            
CONECT   36   35   69   70   71                                       
CONECT   37   35   72   73   74                                       
CONECT   38   39   10   40                                            
CONECT   39   38   75   76   77                                       
CONECT   40   38   78   79   80                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
