COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.373  -2.226  -1.640  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.725   1.465  -0.440  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.776   1.024   0.405  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.338  -0.351   0.245  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.175  -1.291   1.138  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.210  -2.362   1.675  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.820  -2.036   1.090  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.890  -0.523   0.767  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.876  -0.154  -0.318  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.458  -0.339   0.226  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.444   0.031  -0.859  1.00  0.00           C  
HETATM   12  C   UNL     1       0.974  -0.154  -0.315  1.00  0.00           C  
HETATM   13  C   UNL     1       1.988   0.216  -1.400  1.00  0.00           C  
HETATM   14  C   UNL     1       3.385   0.033  -0.865  1.00  0.00           C  
HETATM   15  N   UNL     1       3.975   1.038  -0.264  1.00  0.00           N  
HETATM   16  C   UNL     1       5.213   0.925   0.228  1.00  0.00           C  
HETATM   17  C   UNL     1       5.838   2.008   0.871  1.00  0.00           C  
HETATM   18  C   UNL     1       7.099   1.865   1.362  1.00  0.00           C  
HETATM   19  C   UNL     1       7.787   0.660   1.239  1.00  0.00           C  
HETATM   20  C   UNL     1       7.215  -0.411   0.622  1.00  0.00           C  
HETATM   21  C   UNL     1       5.915  -0.300   0.103  1.00  0.00           C  
HETATM   22  C   UNL     1       5.289  -1.383  -0.540  1.00  0.00           C  
HETATM   23  C   UNL     1       4.017  -1.205  -1.016  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.176   0.721  -1.288  1.00  0.00           O  
HETATM   25  H   UNL     1      -5.408  -0.654  -0.799  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.610  -0.731   1.966  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.964  -1.760   0.549  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.176  -2.322   2.764  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.531  -3.352   1.348  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.041  -2.234   1.827  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.643  -2.613   0.183  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.730   0.072   1.666  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.020  -0.798  -1.185  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.020   0.887  -0.610  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.314   0.306   1.093  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.314  -1.379   0.518  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.588  -0.614  -1.726  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.588   1.071  -1.151  1.00  0.00           H  
HETATM   39  H   UNL     1       1.118   0.491   0.552  1.00  0.00           H  
HETATM   40  H   UNL     1       1.118  -1.194  -0.023  1.00  0.00           H  
HETATM   41  H   UNL     1       1.844  -0.429  -2.267  1.00  0.00           H  
HETATM   42  H   UNL     1       1.844   1.256  -1.692  1.00  0.00           H  
HETATM   43  H   UNL     1       5.319   2.949   0.975  1.00  0.00           H  
HETATM   44  H   UNL     1       7.574   2.700   1.856  1.00  0.00           H  
HETATM   45  H   UNL     1       8.787   0.574   1.637  1.00  0.00           H  
HETATM   46  H   UNL     1       7.759  -1.340   0.532  1.00  0.00           H  
HETATM   47  H   UNL     1       5.796  -2.330  -0.651  1.00  0.00           H  
HETATM   48  H   UNL     1       3.518  -2.258  -2.596  1.00  0.00           H  
HETATM   49  O   UNL     1      -7.175   2.729  -0.347  1.00  0.00           O  
HETATM   50  H   UNL     1      -7.858   3.000  -0.976  1.00  0.00           H  
CONECT    1   23   48                                                 
CONECT    2   24   24    3   49                                       
CONECT    3    4    2                                                 
CONECT    4    8    5    3   25                                       
CONECT    5    6    4   26   27                                       
CONECT    6    7    5   28   29                                       
CONECT    7    6    8   30   31                                       
CONECT    8    9    7    4   32                                       
CONECT    9   10    8   33   34                                       
CONECT   10   11    9   35   36                                       
CONECT   11   12   10   37   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   15   13   23   23                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   21                                       
CONECT   17   18   18   16   43                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   16   20   22   22                                       
CONECT   22   21   21   23   47                                       
CONECT   23   14   14   22    1                                       
CONECT   24    2    2                                                 
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48    1                                                      
CONECT   49    2   50                                                 
CONECT   50   49                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
