COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.551  -1.682   0.678  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.742  -2.552  -0.073  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.751  -2.088  -0.951  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.629  -0.790  -1.239  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.698   0.185  -0.739  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.548  -0.288   0.413  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.728   0.043  -1.796  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.633   1.151  -1.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.824   1.334  -0.300  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.583   2.062  -0.805  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.750   3.140   0.077  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.944   3.304   0.756  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.981   2.398   0.564  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.199   0.489   1.082  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.378  -2.200   1.700  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.222  -1.268   2.531  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.409  -3.396   1.909  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.925  -3.882   0.056  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.597   0.613  -1.901  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.152   2.560   1.231  1.00  0.00           O  
HETATM   21  C   UNL     1       0.689   1.886  -1.522  1.00  0.00           C  
HETATM   22  O   UNL     1       0.850   2.405  -2.610  1.00  0.00           O  
HETATM   23  N   UNL     1       1.676   1.151  -0.973  1.00  0.00           N  
HETATM   24  C   UNL     1       2.943   0.976  -1.687  1.00  0.00           C  
HETATM   25  C   UNL     1       3.869   0.119  -0.864  1.00  0.00           C  
HETATM   26  C   UNL     1       4.853   0.694  -0.122  1.00  0.00           C  
HETATM   27  C   UNL     1       5.722  -0.085   0.648  1.00  0.00           C  
HETATM   28  C   UNL     1       5.606  -1.446   0.674  1.00  0.00           C  
HETATM   29  C   UNL     1       4.601  -2.072  -0.081  1.00  0.00           C  
HETATM   30  C   UNL     1       3.717  -1.279  -0.855  1.00  0.00           C  
HETATM   31  C   UNL     1       4.450  -3.469  -0.078  1.00  0.00           C  
HETATM   32  C   UNL     1       3.465  -4.042  -0.822  1.00  0.00           C  
HETATM   33  C   UNL     1       2.600  -3.263  -1.588  1.00  0.00           C  
HETATM   34  C   UNL     1       2.707  -1.906  -1.605  1.00  0.00           C  
HETATM   35  O   UNL     1       0.263   4.023   0.266  1.00  0.00           O  
HETATM   36  C   UNL     1       0.025   5.098   1.178  1.00  0.00           C  
HETATM   37  O   UNL     1       6.695   0.519   1.379  1.00  0.00           O  
HETATM   38  C   UNL     1       7.553  -0.330   2.145  1.00  0.00           C  
HETATM   39  C   UNL     1       8.577   0.524   2.895  1.00  0.00           C  
HETATM   40  H   UNL     1      -2.072  -2.796  -1.403  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.071   4.136   1.434  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.921  -0.737   1.885  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.777  -1.843   3.272  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.578  -0.549   3.038  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.354  -4.457  -0.473  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.102  -0.261  -2.311  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.339   1.327  -1.542  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.990   1.079  -2.677  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.182   2.113   2.088  1.00  0.00           H  
HETATM   50  H   UNL     1       1.547   0.738  -0.105  1.00  0.00           H  
HETATM   51  H   UNL     1       2.756   0.492  -2.646  1.00  0.00           H  
HETATM   52  H   UNL     1       3.402   1.950  -1.856  1.00  0.00           H  
HETATM   53  H   UNL     1       4.965   1.768  -0.128  1.00  0.00           H  
HETATM   54  H   UNL     1       6.284  -2.037   1.272  1.00  0.00           H  
HETATM   55  H   UNL     1       5.114  -4.085   0.511  1.00  0.00           H  
HETATM   56  H   UNL     1       3.351  -5.116  -0.818  1.00  0.00           H  
HETATM   57  H   UNL     1       1.827  -3.742  -2.170  1.00  0.00           H  
HETATM   58  H   UNL     1       2.030  -1.315  -2.204  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.820   5.691   0.828  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.198   4.693   2.165  1.00  0.00           H  
HETATM   61  H   UNL     1       0.913   5.728   1.235  1.00  0.00           H  
HETATM   62  H   UNL     1       6.957  -0.896   2.862  1.00  0.00           H  
HETATM   63  H   UNL     1       8.072  -1.019   1.479  1.00  0.00           H  
HETATM   64  H   UNL     1       9.231  -0.123   3.480  1.00  0.00           H  
HETATM   65  H   UNL     1       9.172   1.090   2.179  1.00  0.00           H  
HETATM   66  H   UNL     1       8.058   1.213   3.562  1.00  0.00           H  
CONECT    1    2    2    6   15                                       
CONECT    2    1    1    3   18                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    9   19                                       
CONECT    6    1    5   14   14                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    5    8    8   13                                       
CONECT   10    8   11   11   21                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   13   41                                       
CONECT   13    9   12   12   20                                       
CONECT   14    6    6                                                 
CONECT   15    1   16   17   17                                       
CONECT   16   15   42   43   44                                       
CONECT   17   15   15                                                 
CONECT   18    2   45                                                 
CONECT   19    5   46   47   48                                       
CONECT   20   13   49                                                 
CONECT   21   10   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   50                                            
CONECT   24   23   25   51   52                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   28   28   37                                       
CONECT   28   27   27   29   54                                       
CONECT   29   28   30   30   31                                       
CONECT   30   25   29   29   34                                       
CONECT   31   29   32   32   55                                       
CONECT   32   31   31   33   56                                       
CONECT   33   32   34   34   57                                       
CONECT   34   30   33   33   58                                       
CONECT   35   11   36                                                 
CONECT   36   35   59   60   61                                       
CONECT   37   27   38                                                 
CONECT   38   37   39   62   63                                       
CONECT   39   38   64   65   66                                       
CONECT   40    3                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   38                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
