COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.498   2.294  -0.063  1.00  0.00           C  
HETATM    2  C   UNL     1       3.422   1.562  -0.548  1.00  0.00           C  
HETATM    3  C   UNL     1       1.137   1.079  -0.915  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.317   0.951   1.112  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.689   0.891  -0.549  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.973   0.559   1.395  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.386   1.381   3.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.310   0.065   1.368  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.270  -1.348  -0.415  1.00  0.00           C  
HETATM   10  C   UNL     1       9.399  -3.827   2.088  1.00  0.00           C  
HETATM   11  C   UNL     1       8.986  -3.028   0.851  1.00  0.00           C  
HETATM   12  C   UNL     1       9.281  -3.845  -0.408  1.00  0.00           C  
HETATM   13  C   UNL     1       7.488  -2.717   0.919  1.00  0.00           C  
HETATM   14  C   UNL     1       7.093  -1.865  -0.290  1.00  0.00           C  
HETATM   15  C   UNL     1       7.420   0.284  -1.355  1.00  0.00           C  
HETATM   16  C   UNL     1       6.011   0.735  -1.070  1.00  0.00           C  
HETATM   17  C   UNL     1       5.789   1.878  -0.325  1.00  0.00           C  
HETATM   18  C   UNL     1       4.942  -0.003  -1.546  1.00  0.00           C  
HETATM   19  C   UNL     1       3.649   0.410  -1.292  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.251   1.393  -0.353  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.725   1.206   1.653  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.309   0.627  -1.154  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.613  -1.898  -0.821  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.033  -3.123  -0.337  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.265  -3.628  -0.709  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.077  -2.908  -1.566  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.657  -1.683  -2.049  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.427  -1.176  -1.673  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.053  -0.075   0.788  1.00  0.00           C  
HETATM   30  C   UNL     1       1.904   3.359  -0.754  1.00  0.00           C  
HETATM   31  C   UNL     1       0.456   3.734  -0.608  1.00  0.00           C  
HETATM   32  C   UNL     1       9.309  -0.891  -0.400  1.00  0.00           C  
HETATM   33  C   UNL     1       9.770  -1.714   0.805  1.00  0.00           C  
HETATM   34  N   UNL     1       7.871  -0.619  -0.287  1.00  0.00           N  
HETATM   35  N   UNL     1       2.116   1.982  -0.289  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.701   0.454   0.853  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.180   1.272   2.501  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.434   0.796   2.475  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.418  -0.547   0.802  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.513   2.827  -0.443  1.00  0.00           N  
HETATM   41  O   UNL     1       0.153   4.907  -0.641  1.00  0.00           O  
HETATM   42  H   UNL     1       4.326   3.190   0.515  1.00  0.00           H  
HETATM   43  H   UNL     1       1.397   0.045  -0.689  1.00  0.00           H  
HETATM   44  H   UNL     1       1.137   1.228  -1.995  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.086  -0.112   1.182  1.00  0.00           H  
HETATM   46  H   UNL     1       0.406   1.520   1.697  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.910   1.957  -0.599  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.443   0.338  -1.108  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.520   1.966   3.917  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.582  -2.172  -0.227  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.877  -0.723  -1.217  1.00  0.00           H  
HETATM   52  H   UNL     1       8.835  -4.760   2.122  1.00  0.00           H  
HETATM   53  H   UNL     1      10.465  -4.048   2.038  1.00  0.00           H  
HETATM   54  H   UNL     1       9.190  -3.244   2.984  1.00  0.00           H  
HETATM   55  H   UNL     1       8.989  -3.273  -1.289  1.00  0.00           H  
HETATM   56  H   UNL     1      10.347  -4.066  -0.456  1.00  0.00           H  
HETATM   57  H   UNL     1       8.718  -4.778  -0.377  1.00  0.00           H  
HETATM   58  H   UNL     1       6.922  -3.648   0.908  1.00  0.00           H  
HETATM   59  H   UNL     1       7.271  -2.170   1.837  1.00  0.00           H  
HETATM   60  H   UNL     1       7.297  -2.419  -1.206  1.00  0.00           H  
HETATM   61  H   UNL     1       6.030  -1.630  -0.236  1.00  0.00           H  
HETATM   62  H   UNL     1       7.449  -0.240  -2.310  1.00  0.00           H  
HETATM   63  H   UNL     1       8.078   1.153  -1.397  1.00  0.00           H  
HETATM   64  H   UNL     1       6.626   2.447   0.052  1.00  0.00           H  
HETATM   65  H   UNL     1       5.118  -0.900  -2.120  1.00  0.00           H  
HETATM   66  H   UNL     1       2.814  -0.166  -1.663  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.780   0.880   2.692  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.950   2.270   1.594  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.092  -0.440  -1.116  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.295   0.965  -2.191  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.399  -3.685   0.332  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.593  -4.585  -0.331  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.039  -3.302  -1.857  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.291  -1.120  -2.719  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.101  -0.217  -2.048  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.919  -0.661  -0.109  1.00  0.00           H  
HETATM   77  H   UNL     1       2.193   3.436  -1.803  1.00  0.00           H  
HETATM   78  H   UNL     1       2.515   4.040  -0.162  1.00  0.00           H  
HETATM   79  H   UNL     1       9.856   0.052  -0.427  1.00  0.00           H  
HETATM   80  H   UNL     1       9.503  -1.449  -1.316  1.00  0.00           H  
HETATM   81  H   UNL     1       9.590  -1.150   1.721  1.00  0.00           H  
HETATM   82  H   UNL     1      10.835  -1.928   0.714  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.291  -0.444   1.212  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.430   3.135  -0.380  1.00  0.00           H  
CONECT    1   17    2    2   42                                       
CONECT    2    1    1   19   35                                       
CONECT    3   35   20   43   44                                       
CONECT    4   21   20   45   46                                       
CONECT    5   36   22   47   48                                       
CONECT    6   29   36   37   37                                       
CONECT    7   38   38   37   49                                       
CONECT    8   39   29   29   38                                       
CONECT    9   23   39   50   51                                       
CONECT   10   11   52   53   54                                       
CONECT   11   12   33   13   10                                       
CONECT   12   11   55   56   57                                       
CONECT   13   14   11   58   59                                       
CONECT   14   34   13   60   61                                       
CONECT   15   34   16   62   63                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16    1   64                                       
CONECT   18   16   19   19   65                                       
CONECT   19   18   18    2   66                                       
CONECT   20    4    3   40   22                                       
CONECT   21    4   36   67   68                                       
CONECT   22   20    5   69   70                                       
CONECT   23   24    9   28   28                                       
CONECT   24   25   25   23   71                                       
CONECT   25   24   24   26   72                                       
CONECT   26   25   27   27   73                                       
CONECT   27   26   26   28   74                                       
CONECT   28   23   23   27   75                                       
CONECT   29    8    8    6   76                                       
CONECT   30   35   31   77   78                                       
CONECT   31   30   41   41   40                                       
CONECT   32   33   34   79   80                                       
CONECT   33   32   11   81   82                                       
CONECT   34   15   32   14                                            
CONECT   35    2   30    3                                            
CONECT   36   21    6    5                                            
CONECT   37    6    6    7                                            
CONECT   38    8    7    7                                            
CONECT   39    9    8   83                                            
CONECT   40   31   20   84                                            
CONECT   41   31   31                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
