COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.152  -2.223  -1.041  1.00  0.00           C  
HETATM    2  C   UNL     1       2.122   0.615   1.602  1.00  0.00           C  
HETATM    3  C   UNL     1       4.602   0.005   0.066  1.00  0.00           C  
HETATM    4  C   UNL     1       3.402   1.452   1.644  1.00  0.00           C  
HETATM    5  C   UNL     1       3.971  -2.393   0.008  1.00  0.00           C  
HETATM    6  C   UNL     1       0.581   1.307  -1.837  1.00  0.00           C  
HETATM    7  CA  UNL     1       1.172   0.726  -0.608  1.00  0.00           C  
HETATM    8  C   UNL     1       1.020   1.320   0.775  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.722   1.978   0.445  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.193   1.941   0.899  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.215  -0.251  -0.133  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.109  -2.096   0.155  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.207   1.291  -0.845  1.00  0.00           C  
HETATM   14  C   UNL     1       2.325  -0.676   0.775  1.00  0.00           C  
HETATM   15  C   UNL     1       3.804  -1.070   0.758  1.00  0.00           C  
HETATM   16  C   UNL     1       3.285  -3.514   0.792  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.351   0.815  -0.042  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.186  -1.147  -1.053  1.00  0.00           N  
HETATM   19  N   UNL     1       1.873  -0.336  -0.579  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.076   2.325  -1.772  1.00  0.00           O  
HETATM   21  O   UNL     1       5.837   0.306   0.497  1.00  0.00           O  
HETATM   22  O   UNL     1       4.130   0.595  -0.877  1.00  0.00           O  
HETATM   23  O   UNL     1       3.376  -2.284  -1.287  1.00  0.00           O  
HETATM   24  OXT UNL     1       0.772   0.704  -3.026  1.00  0.00           O  
HETATM   25  S   UNL     1      -0.621   0.946   1.452  1.00  0.00           S  
HETATM   26  S   UNL     1      -5.527  -0.589   0.998  1.00  0.00           S  
HETATM   27  H   UNL     1      -4.626  -3.175  -0.978  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.730  -2.195  -1.965  1.00  0.00           H  
HETATM   29  H   UNL     1       1.773   0.386   2.609  1.00  0.00           H  
HETATM   30  H   UNL     1       3.231   2.349   2.240  1.00  0.00           H  
HETATM   31  H   UNL     1       4.205   0.867   2.091  1.00  0.00           H  
HETATM   32  H   UNL     1       3.682   1.738   0.630  1.00  0.00           H  
HETATM   33  H   UNL     1       5.032  -2.619  -0.097  1.00  0.00           H  
HETATM   34  H   UNL     1       1.189   2.396   0.751  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.336   2.985   0.289  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.323   1.662   1.944  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.761   2.829   0.620  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.137  -1.973  -0.185  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.023  -2.963   0.810  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.486   1.988  -1.635  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.551   0.493  -1.191  1.00  0.00           H  
HETATM   42  H   UNL     1       1.722  -1.487   1.183  1.00  0.00           H  
HETATM   43  H   UNL     1       4.160  -1.185   1.782  1.00  0.00           H  
HETATM   44  H   UNL     1       2.224  -3.287   0.897  1.00  0.00           H  
HETATM   45  H   UNL     1       3.404  -4.456   0.257  1.00  0.00           H  
HETATM   46  H   UNL     1       3.739  -3.596   1.779  1.00  0.00           H  
HETATM   47  H   UNL     1       6.310   1.002   0.021  1.00  0.00           H  
HETATM   48  H   UNL     1       2.415  -2.183  -1.271  1.00  0.00           H  
HETATM   49  HXT UNL     1       0.368   1.119  -3.799  1.00  0.00           H  
CONECT    1   18   12   27   28                                       
CONECT    2   14    4    8   29                                       
CONECT    3   15   22   22   21                                       
CONECT    4    2   30   31   32                                       
CONECT    5   16   23   15   33                                       
CONECT    6    7   20   20   24                                       
CONECT    7   19   19    8    6                                       
CONECT    8    2    7   25   34                                       
CONECT    9   10   25   13   35                                       
CONECT   10    9   17   36   37                                       
CONECT   11   17   26   18   18                                       
CONECT   12   26    1   38   39                                       
CONECT   13    9   17   40   41                                       
CONECT   14   15   19    2   42                                       
CONECT   15    5    3   14   43                                       
CONECT   16    5   44   45   46                                       
CONECT   17   10   13   11                                            
CONECT   18   11   11    1                                            
CONECT   19   14    7    7                                            
CONECT   20    6    6                                                 
CONECT   21    3   47                                                 
CONECT   22    3    3                                                 
CONECT   23    5   48                                                 
CONECT   24    6   49                                                 
CONECT   25    8    9                                                 
CONECT   26   11   12                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
