COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.420   0.070   0.368  1.00  0.00           C  
HETATM    2  N   UNL     1       5.603  -1.209   3.034  1.00  0.00           N  
HETATM    3  C   UNL     1       2.199   2.898  -1.423  1.00  0.00           C  
HETATM    4  C   UNL     1       1.226   1.900  -1.629  1.00  0.00           C  
HETATM    5  C   UNL     1       0.128   2.126  -2.522  1.00  0.00           C  
HETATM    6  C   UNL     1       3.370   1.556   0.080  1.00  0.00           C  
HETATM    7  C   UNL     1       2.459   0.504  -0.070  1.00  0.00           C  
HETATM    8  C   UNL     1       2.803  -0.645   0.746  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.206  -2.567  -2.008  1.00  0.00           C  
HETATM   10  C   UNL     1       0.718  -1.560  -1.828  1.00  0.00           C  
HETATM   11  C   UNL     1       0.361  -0.399  -1.140  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.934  -0.261  -0.634  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.874   0.036   0.842  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.117  -1.142  -0.327  1.00  0.00           O  
HETATM   15  S   UNL     1       4.642   1.095   1.207  1.00  0.00           S  
HETATM   16  C   UNL     1       3.927  -0.480   1.489  1.00  0.00           C  
HETATM   17  C   UNL     1       4.465  -1.460   2.357  1.00  0.00           C  
HETATM   18  N   UNL     1       2.091   4.106  -2.088  1.00  0.00           N  
HETATM   19  N   UNL     1       3.207   2.697  -0.600  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.742   2.305  -3.229  1.00  0.00           N  
HETATM   21  N   UNL     1       2.049  -1.809   0.765  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.855  -1.273  -0.818  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.492  -2.430  -1.506  1.00  0.00           C  
HETATM   24  C   UNL     1       1.351   0.681  -0.946  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.402  -3.423  -1.691  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.964  -4.577  -2.410  1.00  0.00           C  
HETATM   27  O   UNL     1       3.898  -2.530   2.492  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.198   1.333   1.586  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.631   1.299   2.053  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.139   2.339   2.733  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.321   0.336   1.816  1.00  0.00           O  
HETATM   32  H   UNL     1      -3.276   0.918  -0.302  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.759   0.170   1.228  1.00  0.00           H  
HETATM   34  H   UNL     1       6.054  -0.357   2.926  1.00  0.00           H  
HETATM   35  H   UNL     1       5.971  -1.881   3.629  1.00  0.00           H  
HETATM   36  H   UNL     1       0.070  -3.462  -2.545  1.00  0.00           H  
HETATM   37  H   UNL     1       1.719  -1.669  -2.220  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.214   0.636  -0.101  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.535  -0.065  -0.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.018  -0.813   1.512  1.00  0.00           H  
HETATM   41  H   UNL     1       1.349   4.261  -2.693  1.00  0.00           H  
HETATM   42  H   UNL     1       2.758   4.797  -1.950  1.00  0.00           H  
HETATM   43  H   UNL     1       1.139  -1.804   0.430  1.00  0.00           H  
HETATM   44  H   UNL     1       2.432  -2.629   1.115  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.785  -5.291  -2.486  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.645  -4.283  -3.410  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.129  -5.039  -1.883  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.537   1.433   2.447  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.055   2.181   0.916  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.063   2.271   3.012  1.00  0.00           H  
CONECT    1   14   13   32   33                                       
CONECT    2   17   34   35                                            
CONECT    3   19   19    4   18                                       
CONECT    4   24   24    3    5                                       
CONECT    5    4   20   20   20                                       
CONECT    6   15    7    7   19                                       
CONECT    7    8    6    6   24                                       
CONECT    8   16   16   21    7                                       
CONECT    9   10   23   23   36                                       
CONECT   10   11   11    9   37                                       
CONECT   11   24   10   10   12                                       
CONECT   12   11   22   22   38                                       
CONECT   13    1   28   39   40                                       
CONECT   14   22    1                                                 
CONECT   15   16    6                                                 
CONECT   16   17   15    8    8                                       
CONECT   17    2   27   27   16                                       
CONECT   18    3   41   42                                            
CONECT   19    6    3    3                                            
CONECT   20    5    5    5                                            
CONECT   21    8   43   44                                            
CONECT   22   12   12   23   14                                       
CONECT   23    9    9   22   25                                       
CONECT   24    7   11    4    4                                       
CONECT   25   23   26                                                 
CONECT   26   25   45   46   47                                       
CONECT   27   17   17                                                 
CONECT   28   29   13   48   49                                       
CONECT   29   31   31   30   28                                       
CONECT   30   29   50                                                 
CONECT   31   29   29                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
