COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.141  -3.199   0.218  1.00  0.00           C  
HETATM    2  CA  UNL     1      -1.277  -1.725   0.135  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.215  -0.743   0.578  1.00  0.00           C  
HETATM    4  C   UNL     1       2.366   0.370   0.178  1.00  0.00           C  
HETATM    5  C   UNL     1       3.080  -0.450   1.286  1.00  0.00           C  
HETATM    6  C   UNL     1       4.452   0.264   1.366  1.00  0.00           C  
HETATM    7  C   UNL     1       6.028   0.842  -0.528  1.00  0.00           C  
HETATM    8  C   UNL     1       7.230   0.713   0.371  1.00  0.00           C  
HETATM    9  C   UNL     1       3.517   0.719  -0.789  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.159   0.338  -0.282  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.975   0.602   0.677  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.440   0.982   0.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.609   0.555  -0.599  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.304   2.505   0.204  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.585   3.149   0.738  1.00  0.00           C  
HETATM   16  N   UNL     1       4.771   0.627  -0.027  1.00  0.00           N  
HETATM   17  N   UNL     1       6.182   1.157  -1.773  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.301  -1.122  -0.323  1.00  0.00           N  
HETATM   19  OXT UNL     1      -2.171  -3.991  -0.136  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.848   1.135  -1.631  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.384  -0.469  -0.209  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.195   2.910   1.010  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.100  -3.692   0.601  1.00  0.00           O  
HETATM   24  S   UNL     1       1.110  -0.637  -0.657  1.00  0.00           S  
HETATM   25  H   UNL     1       0.190  -1.029   1.549  1.00  0.00           H  
HETATM   26  H   UNL     1       1.921   1.275   0.591  1.00  0.00           H  
HETATM   27  H   UNL     1       2.545  -0.377   2.232  1.00  0.00           H  
HETATM   28  H   UNL     1       3.199  -1.491   0.985  1.00  0.00           H  
HETATM   29  H   UNL     1       4.378   1.159   1.984  1.00  0.00           H  
HETATM   30  H   UNL     1       5.209  -0.411   1.765  1.00  0.00           H  
HETATM   31  H   UNL     1       8.135   0.919  -0.200  1.00  0.00           H  
HETATM   32  H   UNL     1       7.148   1.426   1.192  1.00  0.00           H  
HETATM   33  H   UNL     1       7.276  -0.299   0.772  1.00  0.00           H  
HETATM   34  H   UNL     1       3.533   0.011  -1.617  1.00  0.00           H  
HETATM   35  H   UNL     1       3.387   1.733  -1.168  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.926   0.724  -1.275  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.325   0.779   1.694  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.361   1.431   0.326  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.604   0.664   1.281  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.139   2.823  -0.826  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.749   2.831   1.768  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.488   4.234   0.704  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.430   2.840   0.123  1.00  0.00           H  
HETATM   44  H   UNL     1       7.072   1.309  -2.128  1.00  0.00           H  
HETATM   45  HXT UNL     1      -2.035  -4.946  -0.065  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.122  -0.706  -0.787  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.274   2.659   1.941  1.00  0.00           H  
CONECT    1   23   23    2   19                                       
CONECT    2   18   18    1    3                                       
CONECT    3   11    2   24   25                                       
CONECT    4    5    9   24   26                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5   16   29   30                                       
CONECT    7   16   17   17    8                                       
CONECT    8    7   31   32   33                                       
CONECT    9    4   16   34   35                                       
CONECT   10   12   18   11   36                                       
CONECT   11   10    3   37   38                                       
CONECT   12   13   14   10   39                                       
CONECT   13   20   20   12   21                                       
CONECT   14   15   12   22   40                                       
CONECT   15   14   41   42   43                                       
CONECT   16    9    6    7                                            
CONECT   17    7    7   44                                            
CONECT   18   10    2    2                                            
CONECT   19    1   45                                                 
CONECT   20   13   13                                                 
CONECT   21   13   46                                                 
CONECT   22   14   47                                                 
CONECT   23    1    1                                                 
CONECT   24    3    4                                                 
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
