COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.582   0.747   0.422  1.00  0.00           O  
HETATM    2  C   UNL     1       1.192   0.098  -0.401  1.00  0.00           C  
HETATM    3  C   UNL     1       2.673  -0.130  -0.235  1.00  0.00           C  
HETATM    4  C   UNL     1       2.904  -1.339   0.675  1.00  0.00           C  
HETATM    5  C   UNL     1       4.406  -1.551   0.870  1.00  0.00           C  
HETATM    6  C   UNL     1       4.637  -2.759   1.780  1.00  0.00           C  
HETATM    7  C   UNL     1       4.025  -4.005   1.137  1.00  0.00           C  
HETATM    8  C   UNL     1       2.523  -3.793   0.942  1.00  0.00           C  
HETATM    9  C   UNL     1       2.292  -2.585   0.032  1.00  0.00           C  
HETATM   10  N   UNL     1       3.285   1.057   0.366  1.00  0.00           N  
HETATM   11  C   UNL     1       4.592   1.317   0.163  1.00  0.00           C  
HETATM   12  O   UNL     1       5.261   0.568  -0.517  1.00  0.00           O  
HETATM   13  C   UNL     1       5.222   2.539   0.780  1.00  0.00           C  
HETATM   14  C   UNL     1       4.512   3.793   0.268  1.00  0.00           C  
HETATM   15  N   UNL     1       6.643   2.596   0.413  1.00  0.00           N  
HETATM   16  C   UNL     1       7.413   3.360   1.403  1.00  0.00           C  
HETATM   17  N   UNL     1       0.545  -0.425  -1.462  1.00  0.00           N  
HETATM   18  C   UNL     1       1.138  -1.312  -2.479  1.00  0.00           C  
HETATM   19  C   UNL     1       0.250  -1.125  -3.734  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.158  -0.976  -3.101  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.080  -0.168  -4.015  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.871  -0.209  -1.793  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.743  -0.739  -0.683  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.292  -1.532   0.116  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.023  -0.332  -0.579  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.868  -0.918   0.365  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.734  -2.263   0.679  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.571  -2.841   1.614  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.546  -2.086   2.242  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.691  -0.747   1.940  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.849  -0.150   1.004  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.997   1.288   0.680  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.897   2.010   1.334  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.053   3.296   1.069  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.262   3.888   0.096  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.331   3.104  -0.568  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.221   1.825  -0.252  1.00  0.00           N  
HETATM   38  H   UNL     1       3.123  -0.318  -1.210  1.00  0.00           H  
HETATM   39  H   UNL     1       2.433  -1.160   1.642  1.00  0.00           H  
HETATM   40  H   UNL     1       4.877  -1.729  -0.097  1.00  0.00           H  
HETATM   41  H   UNL     1       4.842  -0.662   1.328  1.00  0.00           H  
HETATM   42  H   UNL     1       5.708  -2.910   1.918  1.00  0.00           H  
HETATM   43  H   UNL     1       4.167  -2.580   2.747  1.00  0.00           H  
HETATM   44  H   UNL     1       4.496  -4.183   0.170  1.00  0.00           H  
HETATM   45  H   UNL     1       4.190  -4.866   1.785  1.00  0.00           H  
HETATM   46  H   UNL     1       2.087  -4.681   0.484  1.00  0.00           H  
HETATM   47  H   UNL     1       2.052  -3.615   1.909  1.00  0.00           H  
HETATM   48  H   UNL     1       1.221  -2.434  -0.107  1.00  0.00           H  
HETATM   49  H   UNL     1       2.762  -2.763  -0.935  1.00  0.00           H  
HETATM   50  H   UNL     1       2.750   1.656   0.909  1.00  0.00           H  
HETATM   51  H   UNL     1       5.129   2.486   1.865  1.00  0.00           H  
HETATM   52  H   UNL     1       4.604   3.846  -0.817  1.00  0.00           H  
HETATM   53  H   UNL     1       3.457   3.751   0.541  1.00  0.00           H  
HETATM   54  H   UNL     1       4.967   4.677   0.715  1.00  0.00           H  
HETATM   55  H   UNL     1       7.024   1.669   0.295  1.00  0.00           H  
HETATM   56  H   UNL     1       8.462   3.387   1.107  1.00  0.00           H  
HETATM   57  H   UNL     1       7.025   4.377   1.459  1.00  0.00           H  
HETATM   58  H   UNL     1       7.324   2.883   2.379  1.00  0.00           H  
HETATM   59  H   UNL     1       2.164  -1.012  -2.692  1.00  0.00           H  
HETATM   60  H   UNL     1       1.107  -2.349  -2.143  1.00  0.00           H  
HETATM   61  H   UNL     1       0.530  -0.224  -4.280  1.00  0.00           H  
HETATM   62  H   UNL     1       0.298  -2.002  -4.380  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.590  -1.954  -2.887  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.198  -0.689  -4.965  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.054  -0.054  -3.540  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.645   0.816  -4.192  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.060   0.854  -1.939  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.358   0.369  -1.161  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.976  -2.858   0.192  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.464  -3.888   1.855  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.196  -2.546   2.971  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.453  -0.161   2.433  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.789   3.878   1.605  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.370   4.936  -0.140  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.699   3.534  -1.332  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   17                                       
CONECT    3    2    4   10   38                                       
CONECT    4    3    5    9   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    5    7   42   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    9   46   47                                       
CONECT    9    4    8   48   49                                       
CONECT   10    3   11   50                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   15   51                                       
CONECT   14   13   52   53   54                                       
CONECT   15   13   16   55                                            
CONECT   16   15   56   57   58                                       
CONECT   17    2   18   22                                            
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   22   63                                       
CONECT   21   20   64   65   66                                       
CONECT   22   17   20   23   67                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   68                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   69                                       
CONECT   28   27   29   29   70                                       
CONECT   29   28   28   30   71                                       
CONECT   30   29   31   31   72                                       
CONECT   31   26   30   30   32                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   35   73                                       
CONECT   35   34   34   36   74                                       
CONECT   36   35   37   37   75                                       
CONECT   37   32   36   36                                            
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
