COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.293   0.742  11.357  1.00  0.00           C  
HETATM    2  O   UNL     1       1.088   0.170  12.553  1.00  0.00           O  
HETATM    3  O   UNL     1       1.910   1.779  11.281  1.00  0.00           O  
HETATM    4  C   UNL     1       0.756   0.093  10.108  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.766  -0.019  10.207  1.00  0.00           C  
HETATM    6  C   UNL     1       1.362  -1.303   9.958  1.00  0.00           C  
HETATM    7  O   UNL     1       1.102   0.887   8.971  1.00  0.00           O  
HETATM    8  C   UNL     1       0.526   0.297   7.890  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.739   0.688   7.478  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.322   0.087   6.379  1.00  0.00           C  
HETATM   11  C   UNL     1       1.205  -0.691   7.194  1.00  0.00           C  
HETATM   12  C   UNL     1       0.616  -1.293   6.099  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.645  -0.902   5.691  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.284  -1.556   4.493  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.918  -0.790   3.248  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.208   0.190   3.325  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.379  -1.194   2.047  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.953  -0.550   0.881  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.821  -0.414  -0.193  1.00  0.00           C  
HETATM   20  C   UNL     1       0.339  -0.050   0.795  1.00  0.00           C  
HETATM   21  C   UNL     1       0.760   0.586  -0.356  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.102   0.728  -1.425  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.397   0.230  -1.346  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.270   0.375  -2.429  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.794   0.332  -3.689  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.625   0.075  -3.887  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.713   0.603  -4.852  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.940   0.494  -6.140  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.852  -0.722  -6.792  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.143  -0.825  -7.973  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.323   1.611  -6.672  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.609   1.513  -7.851  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.519   0.293  -8.506  1.00  0.00           C  
HETATM   34  O   UNL     1       0.177   0.195  -9.668  1.00  0.00           O  
HETATM   35  C   UNL     1       1.507  -0.194  -9.320  1.00  0.00           C  
HETATM   36  C   UNL     1       2.078   0.793  -8.301  1.00  0.00           C  
HETATM   37  C   UNL     1       1.484  -1.598  -8.711  1.00  0.00           C  
HETATM   38  C   UNL     1       2.370  -0.197 -10.556  1.00  0.00           C  
HETATM   39  O   UNL     1       1.894   0.104 -11.625  1.00  0.00           O  
HETATM   40  O   UNL     1       3.666  -0.534 -10.469  1.00  0.00           O  
HETATM   41  H   UNL     1       1.433   0.586  13.355  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.198   0.975  10.312  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.155  -0.490   9.304  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.030  -0.624  11.074  1.00  0.00           H  
HETATM   45  H   UNL     1       2.449  -1.228   9.950  1.00  0.00           H  
HETATM   46  H   UNL     1       1.046  -1.928  10.794  1.00  0.00           H  
HETATM   47  H   UNL     1       1.021  -1.748   9.023  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.268   1.460   8.016  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.307   0.390   6.058  1.00  0.00           H  
HETATM   50  H   UNL     1       2.191  -0.996   7.513  1.00  0.00           H  
HETATM   51  H   UNL     1       1.142  -2.066   5.560  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.927  -2.582   4.406  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.367  -1.557   4.613  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.006  -1.932   1.993  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.827  -0.802  -0.128  1.00  0.00           H  
HETATM   56  H   UNL     1       1.016  -0.159   1.629  1.00  0.00           H  
HETATM   57  H   UNL     1       1.766   0.974  -0.420  1.00  0.00           H  
HETATM   58  H   UNL     1       0.229   1.226  -2.324  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.219   0.505  -2.273  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.524  -0.125  -4.852  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.128   1.607  -4.761  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.337  -1.593  -6.376  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.074  -1.775  -8.481  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.394   2.561  -6.162  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.125   2.385  -8.264  1.00  0.00           H  
HETATM   66  H   UNL     1       1.997   1.807  -8.694  1.00  0.00           H  
HETATM   67  H   UNL     1       1.519   0.719  -7.369  1.00  0.00           H  
HETATM   68  H   UNL     1       3.126   0.559  -8.116  1.00  0.00           H  
HETATM   69  H   UNL     1       0.968  -2.279  -9.388  1.00  0.00           H  
HETATM   70  H   UNL     1       2.506  -1.943  -8.557  1.00  0.00           H  
HETATM   71  H   UNL     1       0.961  -1.570  -7.755  1.00  0.00           H  
HETATM   72  H   UNL     1       4.219  -0.535 -11.262  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1   41                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    6    7                                       
CONECT    5    4   42   43   44                                       
CONECT    6    4   45   46   47                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   10   48                                       
CONECT   10    9   13   13   49                                       
CONECT   11    8   12   12   50                                       
CONECT   12   11   11   13   51                                       
CONECT   13   10   10   12   14                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   54                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   23   55                                       
CONECT   20   18   21   21   56                                       
CONECT   21   20   20   22   57                                       
CONECT   22   21   23   23   58                                       
CONECT   23   19   22   22   24                                       
CONECT   24   23   25   59                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   60   61                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28   30   62                                       
CONECT   30   29   33   33   63                                       
CONECT   31   28   32   32   64                                       
CONECT   32   31   31   33   65                                       
CONECT   33   30   30   32   34                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   37   38                                       
CONECT   36   35   66   67   68                                       
CONECT   37   35   69   70   71                                       
CONECT   38   35   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   72                                                 
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
