COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.483  -0.589  -0.970  1.00  0.00           C  
HETATM    2  C   UNL     1       5.631  -2.320  -0.850  1.00  0.00           C  
HETATM    3  C   UNL     1       4.058  -0.579   0.740  1.00  0.00           C  
HETATM    4  C   UNL     1       2.147   0.522   1.680  1.00  0.00           C  
HETATM    5  C   UNL     1       3.008  -0.405  -0.386  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.946   0.759   0.637  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.857   2.924  -0.586  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.943  -1.303   0.159  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.592  -0.639   0.800  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.311  -1.522  -0.417  1.00  0.00           C  
HETATM   11  N   UNL     1       6.157  -0.998  -0.500  1.00  0.00           N  
HETATM   12  C   UNL     1       5.422  -0.159   0.255  1.00  0.00           C  
HETATM   13  O   UNL     1       5.857   0.936   0.545  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.089  -0.258   0.881  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.662  -1.245  -1.321  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.424  -1.013   0.409  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.277  -2.058  -0.313  1.00  0.00           C  
HETATM   18  C   UNL     1       1.696  -0.261   0.429  1.00  0.00           C  
HETATM   19  CA  UNL     1      -2.058   1.606   0.060  1.00  0.00           C  
HETATM   20  N   UNL     1       3.599   0.313   1.825  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.190   1.039   0.202  1.00  0.00           N  
HETATM   22  OXT UNL     1      -2.921   3.646  -0.988  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.734   3.353  -0.754  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.232  -2.218  -1.893  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.690  -1.068   1.811  1.00  0.00           O  
HETATM   26  S   UNL     1       0.460   0.681  -0.507  1.00  0.00           S  
HETATM   27  H   UNL     1       7.923  -1.393  -1.561  1.00  0.00           H  
HETATM   28  H   UNL     1       7.390   0.305  -1.586  1.00  0.00           H  
HETATM   29  H   UNL     1       8.123  -0.376  -0.114  1.00  0.00           H  
HETATM   30  H   UNL     1       5.924  -3.041  -0.086  1.00  0.00           H  
HETATM   31  H   UNL     1       4.544  -2.275  -0.908  1.00  0.00           H  
HETATM   32  H   UNL     1       6.035  -2.628  -1.814  1.00  0.00           H  
HETATM   33  H   UNL     1       4.080  -1.614   1.081  1.00  0.00           H  
HETATM   34  H   UNL     1       1.937   1.584   1.548  1.00  0.00           H  
HETATM   35  H   UNL     1       1.628   0.145   2.561  1.00  0.00           H  
HETATM   36  H   UNL     1       3.207   0.495  -0.969  1.00  0.00           H  
HETATM   37  H   UNL     1       2.975  -1.284  -1.029  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.629   1.149   1.605  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.698  -2.296   0.536  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.258  -1.122   1.719  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.245  -1.741  -0.469  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.870  -2.454  -0.327  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.620  -1.000  -1.323  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.402  -0.169   1.921  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.846  -0.334  -1.870  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.668  -0.020   0.031  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.032  -3.051   0.064  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.332  -1.851  -0.135  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.074  -2.016  -1.384  1.00  0.00           H  
HETATM   50  H   UNL     1       1.303  -1.239   0.707  1.00  0.00           H  
HETATM   51  H   UNL     1       4.095   1.192   1.805  1.00  0.00           H  
HETATM   52  HXT UNL     1      -2.740   4.500  -1.405  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.495  -1.924   2.216  1.00  0.00           H  
CONECT    1   11   27   28   29                                       
CONECT    2   11   30   31   32                                       
CONECT    3   20    5   12   33                                       
CONECT    4   20   18   34   35                                       
CONECT    5   18    3   36   37                                       
CONECT    6   26   19    9   38                                       
CONECT    7   23   23   22   19                                       
CONECT    8   15   14   16   39                                       
CONECT    9    6   14   10   40                                       
CONECT   10    9   41   42   43                                       
CONECT   11    1   12    2                                            
CONECT   12    3   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   21    8    9   44                                       
CONECT   15   24   24    8   45                                       
CONECT   16    8   17   25   46                                       
CONECT   17   16   47   48   49                                       
CONECT   18    4   26    5   50                                       
CONECT   19    7    6   21   21                                       
CONECT   20    4    3   51                                            
CONECT   21   19   19   14                                            
CONECT   22    7   52                                                 
CONECT   23    7    7                                                 
CONECT   24   15   15                                                 
CONECT   25   16   53                                                 
CONECT   26   18    6                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
