COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.402  -0.752   2.495  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.838  -1.157   1.153  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.280  -0.937   0.979  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.070  -0.456   0.115  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.608  -0.903   0.173  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.840  -0.202  -0.865  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.277  -0.608  -2.207  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.949  -1.699  -0.745  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.588  -1.906  -0.582  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.083  -3.168  -0.628  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.012  -4.232  -0.847  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.465  -0.412  -0.699  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.614   0.673  -0.489  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.135   1.974  -0.442  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.592   2.887   0.387  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.598   2.610   1.031  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.201   4.220   0.512  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.665   5.122   1.330  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.253   0.464  -0.326  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.738  -0.823  -0.372  1.00  0.00           C  
HETATM   21  N   UNL     1       0.639  -1.035  -0.207  1.00  0.00           N  
HETATM   22  C   UNL     1       1.536  -0.024  -0.508  1.00  0.00           C  
HETATM   23  N   UNL     1       2.819  -0.198  -0.235  1.00  0.00           N  
HETATM   24  N   UNL     1       1.087   1.091  -1.069  1.00  0.00           N  
HETATM   25  C   UNL     1       1.913   2.081  -1.373  1.00  0.00           C  
HETATM   26  C   UNL     1       3.261   1.946  -1.101  1.00  0.00           C  
HETATM   27  C   UNL     1       3.707   0.756  -0.514  1.00  0.00           C  
HETATM   28  C   UNL     1       5.140   0.561  -0.208  1.00  0.00           C  
HETATM   29  C   UNL     1       5.756  -0.631   0.399  1.00  0.00           C  
HETATM   30  C   UNL     1       5.261  -1.854   0.848  1.00  0.00           C  
HETATM   31  C   UNL     1       6.117  -2.779   1.378  1.00  0.00           C  
HETATM   32  C   UNL     1       7.475  -2.509   1.473  1.00  0.00           C  
HETATM   33  C   UNL     1       7.983  -1.306   1.036  1.00  0.00           C  
HETATM   34  C   UNL     1       7.130  -0.351   0.492  1.00  0.00           C  
HETATM   35  N   UNL     1       7.329   0.913  -0.020  1.00  0.00           N  
HETATM   36  C   UNL     1       8.627   1.587  -0.109  1.00  0.00           C  
HETATM   37  C   UNL     1       6.147   1.444  -0.438  1.00  0.00           C  
HETATM   38  H   UNL     1      -7.549   0.321   2.617  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.986  -1.286   3.244  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.345  -0.990   2.621  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.496   0.129   1.046  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.590  -1.311   0.003  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.825  -1.467   1.760  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.484  -0.692  -0.865  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.128   0.619   0.284  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.194  -0.667   1.153  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.550  -1.979   0.004  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.333  -0.369  -2.333  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.692  -0.074  -2.956  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.130  -1.681  -2.329  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.607  -2.538  -0.913  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.750  -4.240  -0.045  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.516  -4.083  -1.802  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.480  -5.183  -0.861  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.886   2.216  -1.006  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.083   4.467  -0.060  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.783   4.875   1.903  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.112   6.101   1.423  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.593   1.304  -0.163  1.00  0.00           H  
HETATM   60  H   UNL     1       0.963  -1.889   0.119  1.00  0.00           H  
HETATM   61  H   UNL     1       1.536   2.984  -1.829  1.00  0.00           H  
HETATM   62  H   UNL     1       3.954   2.739  -1.339  1.00  0.00           H  
HETATM   63  H   UNL     1       4.205  -2.070   0.778  1.00  0.00           H  
HETATM   64  H   UNL     1       5.733  -3.727   1.726  1.00  0.00           H  
HETATM   65  H   UNL     1       8.139  -3.249   1.895  1.00  0.00           H  
HETATM   66  H   UNL     1       9.042  -1.105   1.114  1.00  0.00           H  
HETATM   67  H   UNL     1       9.093   1.352  -1.065  1.00  0.00           H  
HETATM   68  H   UNL     1       8.483   2.664  -0.029  1.00  0.00           H  
HETATM   69  H   UNL     1       9.269   1.244   0.702  1.00  0.00           H  
HETATM   70  H   UNL     1       6.027   2.421  -0.883  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    4    3                                            
CONECT    3    2   41   42   43                                       
CONECT    4    2    5   44   45                                       
CONECT    5    4    6   46   47                                       
CONECT    6    5    7   12                                            
CONECT    7    6   48   49   50                                       
CONECT    8   12   12    9   51                                       
CONECT    9    8   10   20   20                                       
CONECT   10   11    9                                                 
CONECT   11   10   52   53   54                                       
CONECT   12    6    8    8   13                                       
CONECT   13   12   14   19   19                                       
CONECT   14   13   15   55                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   56                                       
CONECT   18   17   17   57   58                                       
CONECT   19   13   13   20   59                                       
CONECT   20    9    9   19   21                                       
CONECT   21   20   22   60                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   27                                            
CONECT   24   22   25   25                                            
CONECT   25   24   24   26   61                                       
CONECT   26   27   27   25   62                                       
CONECT   27   23   28   26   26                                       
CONECT   28   27   29   37   37                                       
CONECT   29   30   28   34   34                                       
CONECT   30   31   31   29   63                                       
CONECT   31   30   30   32   64                                       
CONECT   32   31   33   33   65                                       
CONECT   33   32   32   34   66                                       
CONECT   34   29   29   33   35                                       
CONECT   35   34   37   36                                            
CONECT   36   35   67   68   69                                       
CONECT   37   28   28   35   70                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
