COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.636   0.876  -0.175  1.00  0.00           C  
HETATM    2  C   UNL     1       3.247   0.296  -0.073  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.424  -1.097   0.157  1.00  0.00           N  
HETATM    4  C   UNL     1       7.611  -0.029  -0.904  1.00  0.00           C  
HETATM    5  OXT UNL     1      -4.106  -2.793  -0.640  1.00  0.00           O  
HETATM    6  C   UNL     1       6.344   0.433  -1.215  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.444   0.000   0.170  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.698  -1.946   0.326  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.087  -2.094   1.467  1.00  0.00           O  
HETATM   10  CA  UNL     1      -2.779  -0.840  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.334   0.277  -0.412  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.837   0.299  -0.520  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.601   1.534  -0.781  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.880   1.128  -1.193  1.00  0.00           S  
HETATM   15  C   UNL     1       1.008  -1.329  -1.338  1.00  0.00           C  
HETATM   16  O   UNL     1       0.015  -1.423  -2.018  1.00  0.00           O  
HETATM   17  C   UNL     1       0.965  -0.557  -0.044  1.00  0.00           C  
HETATM   18  O   UNL     1       1.304  -1.425   1.039  1.00  0.00           O  
HETATM   19  C   UNL     1       1.293  -0.788   2.319  1.00  0.00           C  
HETATM   20  N   UNL     1       1.923   0.549  -0.103  1.00  0.00           N  
HETATM   21  O   UNL     1       3.644  -0.838   0.093  1.00  0.00           O  
HETATM   22  C   UNL     1       4.234   1.422  -0.247  1.00  0.00           C  
HETATM   23  S   UNL     1       6.589   0.720   1.296  1.00  0.00           S  
HETATM   24  C   UNL     1       7.934   0.041   0.388  1.00  0.00           C  
HETATM   25  H   UNL     1       8.288  -0.415  -1.652  1.00  0.00           H  
HETATM   26  HXT UNL     1      -4.708  -3.502  -0.377  1.00  0.00           H  
HETATM   27  H   UNL     1       5.956   0.433  -2.223  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.493   0.530   1.122  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.123   0.485  -1.555  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.239  -0.662  -0.199  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.083   1.992  -1.645  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.620   2.230   0.058  1.00  0.00           H  
HETATM   33  H   UNL     1       1.927  -1.797  -1.657  1.00  0.00           H  
HETATM   34  H   UNL     1       2.013   0.030   2.324  1.00  0.00           H  
HETATM   35  H   UNL     1       0.296  -0.396   2.521  1.00  0.00           H  
HETATM   36  H   UNL     1       1.561  -1.513   3.088  1.00  0.00           H  
HETATM   37  H   UNL     1       1.606   1.464  -0.163  1.00  0.00           H  
HETATM   38  H   UNL     1       4.088   2.157   0.544  1.00  0.00           H  
HETATM   39  H   UNL     1       4.077   1.895  -1.216  1.00  0.00           H  
HETATM   40  H   UNL     1       8.876  -0.272   0.812  1.00  0.00           H  
HETATM   41  O   UNL     1      -5.368   1.353   0.326  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.708   1.443   0.422  1.00  0.00           C  
HETATM   43  H   UNL     1      -1.118  -2.012   0.257  1.00  0.00           H  
HETATM   44  O   UNL     1      -7.414   0.663  -0.185  1.00  0.00           O  
HETATM   45  N   UNL     1      -7.265   2.399   1.191  1.00  0.00           N  
HETATM   46  H   UNL     1      -6.701   3.022   1.676  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.231   2.464   1.260  1.00  0.00           H  
CONECT    1    6    6   22   23                                       
CONECT    2   20   21   21   22                                       
CONECT    3    7   10   43                                            
CONECT    4    6   24   24   25                                       
CONECT    5    8   26                                                 
CONECT    6    1    1    4   27                                       
CONECT    7   14    3   17   28                                       
CONECT    8   10    9    9    5                                       
CONECT    9    8    8                                                 
CONECT   10   11   11    3    8                                       
CONECT   11   13   12   10   10                                       
CONECT   12   11   29   30   41                                       
CONECT   13   14   11   31   32                                       
CONECT   14   13    7                                                 
CONECT   15   16   16   17   33                                       
CONECT   16   15   15                                                 
CONECT   17    7   15   18   20                                       
CONECT   18   17   19                                                 
CONECT   19   18   34   35   36                                       
CONECT   20   17    2   37                                            
CONECT   21    2    2                                                 
CONECT   22    2    1   38   39                                       
CONECT   23    1   24                                                 
CONECT   24    4    4   23   40                                       
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   12   42                                                 
CONECT   42   41   44   44   45                                       
CONECT   43    3                                                      
CONECT   44   42   42                                                 
CONECT   45   42   46   47                                            
CONECT   46   45                                                      
CONECT   47   45                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
