COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.298   3.686  -0.378  1.00  0.00           C  
HETATM    2  C   UNL     1       2.569   2.057  -0.292  1.00  0.00           C  
HETATM    3  C   UNL     1       1.691   3.090   0.003  1.00  0.00           C  
HETATM    4  O   UNL     1       3.888   2.322  -0.487  1.00  0.00           O  
HETATM    5  O   UNL     1       2.965  -0.263  -0.674  1.00  0.00           O  
HETATM    6  O   UNL     1       3.537  -4.264   1.228  1.00  0.00           O  
HETATM    7  C   UNL     1       6.326  -2.229   1.472  1.00  0.00           C  
HETATM    8  C   UNL     1       4.426  -3.448   1.078  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.551   1.230   0.335  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.943  -1.473  -0.165  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.774  -1.425  -1.660  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.956  -2.072  -2.407  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.436  -3.379  -1.747  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.295  -4.246  -1.289  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.010  -3.938   0.195  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.221  -2.727   0.369  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.126   0.558   1.180  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.498   1.821   1.706  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.535   2.879   2.036  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.069   3.526   0.794  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.506   3.428  -0.366  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.298   2.660  -0.633  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.519   2.356   0.652  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.286   0.294   1.413  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.357  -0.274   0.439  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.999   0.016   0.252  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.121   1.515   0.117  1.00  0.00           C  
HETATM   28  C   UNL     1       0.354   2.826   0.207  1.00  0.00           C  
HETATM   29  C   UNL     1       0.762   0.475  -0.181  1.00  0.00           C  
HETATM   30  C   UNL     1       2.102   0.747  -0.384  1.00  0.00           C  
HETATM   31  C   UNL     1       5.804   3.787  -0.627  1.00  0.00           C  
HETATM   32  O   UNL     1       6.090   3.413  -1.976  1.00  0.00           O  
HETATM   33  C   UNL     1       2.418  -1.581  -0.753  1.00  0.00           C  
HETATM   34  C   UNL     1       3.532  -2.576  -1.085  1.00  0.00           C  
HETATM   35  N   UNL     1       4.493  -2.621   0.020  1.00  0.00           N  
HETATM   36  N   UNL     1       5.429  -3.292   1.951  1.00  0.00           N  
HETATM   37  C   UNL     1       5.685  -1.770   0.148  1.00  0.00           C  
HETATM   38  H   UNL     1       3.767   4.286  -1.117  1.00  0.00           H  
HETATM   39  H   UNL     1       4.069   4.056   0.622  1.00  0.00           H  
HETATM   40  H   UNL     1       2.057   4.104   0.073  1.00  0.00           H  
HETATM   41  H   UNL     1       6.359  -1.406   2.187  1.00  0.00           H  
HETATM   42  H   UNL     1       7.327  -2.623   1.297  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.003  -1.527   0.083  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.688  -0.384  -1.971  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.857  -1.949  -1.928  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.786  -1.366  -2.432  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.649  -2.288  -3.430  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.058  -3.132  -0.887  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.036  -3.937  -2.466  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.565  -5.296  -1.399  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.408  -4.029  -1.884  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.959  -3.819   0.719  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.470  -4.777   0.633  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.276  -2.843  -0.161  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.014  -2.591   1.431  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.940   1.583   2.611  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.358   2.414   2.579  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.077   3.642   2.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.976   4.108   0.873  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.969   3.945  -1.194  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.571   1.722  -1.118  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.652   3.231  -1.301  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.989   3.240   1.006  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.327   3.632   0.438  1.00  0.00           H  
HETATM   65  H   UNL     1       0.400  -0.540  -0.251  1.00  0.00           H  
HETATM   66  H   UNL     1       6.133   4.812  -0.457  1.00  0.00           H  
HETATM   67  H   UNL     1       6.331   3.119   0.055  1.00  0.00           H  
HETATM   68  H   UNL     1       7.029   3.454  -2.205  1.00  0.00           H  
HETATM   69  H   UNL     1       1.969  -1.845   0.204  1.00  0.00           H  
HETATM   70  H   UNL     1       1.658  -1.613  -1.533  1.00  0.00           H  
HETATM   71  H   UNL     1       3.102  -3.567  -1.233  1.00  0.00           H  
HETATM   72  H   UNL     1       4.040  -2.262  -1.997  1.00  0.00           H  
HETATM   73  H   UNL     1       5.546  -3.799   2.770  1.00  0.00           H  
HETATM   74  H   UNL     1       5.401  -0.719   0.206  1.00  0.00           H  
HETATM   75  H   UNL     1       6.367  -1.938  -0.686  1.00  0.00           H  
CONECT    1   31    4   38   39                                       
CONECT    2    3    4   30   30                                       
CONECT    3   28   28    2   40                                       
CONECT    4    1    2                                                 
CONECT    5   30   33                                                 
CONECT    6    8    8                                                 
CONECT    7   37   36   41   42                                       
CONECT    8    6    6   35   36                                       
CONECT    9   23   27   26   26                                       
CONECT   10   11   25   16   43                                       
CONECT   11   12   10   44   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   10   15   54   55                                       
CONECT   17   18   24   24   25                                       
CONECT   18   23   19   17   56                                       
CONECT   19   20   18   57   58                                       
CONECT   20   21   21   19   59                                       
CONECT   21   22   20   20   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22    9   18   63                                       
CONECT   24   17   17                                                 
CONECT   25   17   26   10                                            
CONECT   26    9    9   25                                            
CONECT   27   28    9   29   29                                       
CONECT   28    3    3   27   64                                       
CONECT   29   27   27   30   65                                       
CONECT   30    2    2   29    5                                       
CONECT   31   32    1   66   67                                       
CONECT   32   31   68                                                 
CONECT   33    5   34   69   70                                       
CONECT   34   33   35   71   72                                       
CONECT   35   34    8   37                                            
CONECT   36    8    7   73                                            
CONECT   37   35    7   74   75                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
