COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.171  -2.240   0.306  1.00  0.00           C  
HETATM    2  C   UNL     1       0.824  -0.981   0.279  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.235  -2.263   0.347  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.237   0.048   0.320  1.00  0.00           C  
HETATM    5  C   UNL     1       2.294  -3.337   0.264  1.00  0.00           C  
HETATM    6  C   UNL     1       2.941  -2.103   0.238  1.00  0.00           C  
HETATM    7  C   UNL     1       0.935  -3.417   0.298  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.372   0.133  -0.604  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.461  -0.309  -1.009  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.882  -1.116   0.352  1.00  0.00           N  
HETATM   11  O   UNL     1       2.876   0.259   0.217  1.00  0.00           O  
HETATM   12  N   UNL     1       0.079   0.131   0.287  1.00  0.00           N  
HETATM   13  C   UNL     1       2.230  -0.936   0.244  1.00  0.00           C  
HETATM   14  C   UNL     1       4.808   1.556   0.871  1.00  0.00           C  
HETATM   15  C   UNL     1       4.302   0.228   0.306  1.00  0.00           C  
HETATM   16  C   UNL     1       6.334   1.523   0.965  1.00  0.00           C  
HETATM   17  C   UNL     1       6.927   1.302  -0.428  1.00  0.00           C  
HETATM   18  C   UNL     1       6.422  -0.027  -0.993  1.00  0.00           C  
HETATM   19  C   UNL     1       4.895   0.007  -1.088  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.145   2.111   0.914  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.976   1.219   0.327  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.373   1.165   0.243  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.520   2.070   0.839  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.142   1.087   0.082  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.978   0.179  -0.514  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.462   0.780  -0.195  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.240  -0.688  -1.249  1.00  0.00           N  
HETATM   28  O   UNL     1       6.527   2.369  -1.290  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.772  -3.200   0.373  1.00  0.00           H  
HETATM   30  H   UNL     1       2.880  -4.244   0.258  1.00  0.00           H  
HETATM   31  H   UNL     1       4.020  -2.069   0.213  1.00  0.00           H  
HETATM   32  H   UNL     1       0.448  -4.380   0.319  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.346  -0.790  -1.399  1.00  0.00           H  
HETATM   34  H   UNL     1       4.502   2.370   0.213  1.00  0.00           H  
HETATM   35  H   UNL     1       4.385   1.714   1.863  1.00  0.00           H  
HETATM   36  H   UNL     1       4.608  -0.586   0.963  1.00  0.00           H  
HETATM   37  H   UNL     1       6.694   2.470   1.368  1.00  0.00           H  
HETATM   38  H   UNL     1       6.640   0.709   1.623  1.00  0.00           H  
HETATM   39  H   UNL     1       8.015   1.278  -0.361  1.00  0.00           H  
HETATM   40  H   UNL     1       6.844  -0.184  -1.985  1.00  0.00           H  
HETATM   41  H   UNL     1       6.727  -0.840  -0.335  1.00  0.00           H  
HETATM   42  H   UNL     1       4.535  -0.940  -1.490  1.00  0.00           H  
HETATM   43  H   UNL     1       4.590   0.821  -1.745  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.662   2.878   1.503  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.527   2.076   0.391  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.113   2.803   1.366  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.377  -0.553  -1.032  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.243   1.254   0.132  1.00  0.00           H  
HETATM   49  H   UNL     1       6.814   3.244  -0.993  1.00  0.00           H  
CONECT    1    3    3    2    7                                       
CONECT    2   12   12    1   13                                       
CONECT    3   10    1    1   29                                       
CONECT    4   21   10   10   12                                       
CONECT    5    7    7    6   30                                       
CONECT    6   13   13    5   31                                       
CONECT    7    1    5    5   32                                       
CONECT    8   24   27   25   25                                       
CONECT    9   26   27   27   33                                       
CONECT   10    4    4    3                                            
CONECT   11   13   15                                                 
CONECT   12    4    2    2                                            
CONECT   13    2   11    6    6                                       
CONECT   14   16   15   34   35                                       
CONECT   15   11   19   14   36                                       
CONECT   16   17   14   37   38                                       
CONECT   17   28   18   16   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   15   42   43                                       
CONECT   20   23   22   22   44                                       
CONECT   21   22    4   45                                            
CONECT   22   20   20   25   21                                       
CONECT   23   24   24   20   46                                       
CONECT   24   26   23   23    8                                       
CONECT   25    8    8   22   47                                       
CONECT   26   24    9   48                                            
CONECT   27    9    9    8                                            
CONECT   28   17   49                                                 
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
