COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.004   0.494   1.038  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.538  -1.917   0.063  1.00  0.00           N  
HETATM    3  C   UNL     1       0.271  -1.851  -1.161  1.00  0.00           C  
HETATM    4  C   UNL     1       2.383  -0.646  -0.579  1.00  0.00           C  
HETATM    5  C   UNL     1       4.440   0.643  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1       6.263   1.944   0.500  1.00  0.00           C  
HETATM    7  C   UNL     1       5.790   0.712   0.329  1.00  0.00           C  
HETATM    8  C   UNL     1       4.422  -1.848  -0.123  1.00  0.00           C  
HETATM    9  C   UNL     1       2.421  -3.038  -0.683  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.145   2.422  -0.379  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.936   1.553  -0.099  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.212   1.651  -0.506  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.569   2.827  -1.278  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.492   0.359   0.706  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.720  -0.917  -0.106  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.268  -2.129   0.712  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.781  -1.995   1.044  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.553  -0.718   1.856  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.973  -1.925  -0.253  1.00  0.00           C  
HETATM   20  C   UNL     1       1.733  -1.844  -0.798  1.00  0.00           C  
HETATM   21  C   UNL     1       3.735  -0.641  -0.242  1.00  0.00           C  
HETATM   22  C   UNL     1       3.828   1.838  -0.105  1.00  0.00           C  
HETATM   23  S   UNL     1       4.980   3.119   0.244  1.00  0.00           S  
HETATM   24  C   UNL     1       3.761  -3.040  -0.339  1.00  0.00           C  
HETATM   25  H   UNL     1      -2.429   0.543   0.114  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.842   1.403   1.617  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.286  -2.720   0.620  1.00  0.00           H  
HETATM   28  H   UNL     1       0.056  -2.718  -1.786  1.00  0.00           H  
HETATM   29  H   UNL     1       0.028  -0.940  -1.708  1.00  0.00           H  
HETATM   30  H   UNL     1       1.845   0.286  -0.672  1.00  0.00           H  
HETATM   31  H   UNL     1       7.282   2.186   0.765  1.00  0.00           H  
HETATM   32  H   UNL     1       6.406  -0.167   0.444  1.00  0.00           H  
HETATM   33  H   UNL     1       5.471  -1.850   0.137  1.00  0.00           H  
HETATM   34  H   UNL     1       1.908  -3.973  -0.851  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.626   2.781  -1.542  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.382   3.722  -0.684  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.969   2.862  -2.187  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.067   0.310   1.630  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.779  -1.013  -0.342  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.144  -0.868  -1.030  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.844  -2.179   1.637  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.431  -3.039   0.134  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.459  -2.858   1.627  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.493  -0.622   2.093  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.128  -0.767   2.780  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.231  -1.015  -0.794  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.203  -2.793  -0.872  1.00  0.00           H  
HETATM   48  H   UNL     1       2.788   1.987  -0.356  1.00  0.00           H  
HETATM   49  H   UNL     1       4.291  -3.976  -0.240  1.00  0.00           H  
CONECT    1   14   18   25   26                                       
CONECT    2    3   19   27                                            
CONECT    3    2   20   28   29                                       
CONECT    4   20   21   21   30                                       
CONECT    5   21   22   22    7                                       
CONECT    6   23    7    7   31                                       
CONECT    7    5    6    6   32                                       
CONECT    8   24   24   21   33                                       
CONECT    9   20   20   24   34                                       
CONECT   10   11   11                                                 
CONECT   11   12   14   10   10                                       
CONECT   12   13   11                                                 
CONECT   13   12   35   36   37                                       
CONECT   14   15   11    1   38                                       
CONECT   15   16   14   39   40                                       
CONECT   16   15   17   41   42                                       
CONECT   17   16   19   18   43                                       
CONECT   18   17    1   44   45                                       
CONECT   19    2   17   46   47                                       
CONECT   20    3    9    9    4                                       
CONECT   21    4    4    8    5                                       
CONECT   22    5    5   23   48                                       
CONECT   23   22    6                                                 
CONECT   24    9    8    8   49                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
