COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.370  -0.385   0.272  1.00  0.00           C  
HETATM    2  C   UNL     1       2.261   0.764   0.070  1.00  0.00           C  
HETATM    3  C   UNL     1       2.048   2.140  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       3.109   2.978  -0.233  1.00  0.00           C  
HETATM    5  C   UNL     1       4.401   2.473  -0.312  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.102  -0.349   0.415  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.684   0.287   1.513  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.057   0.317   1.641  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858  -0.283   0.685  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.792   1.072   0.312  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.287  -0.916  -0.406  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.914  -0.947  -0.549  1.00  0.00           C  
HETATM   13  C   UNL     1       6.643   0.957  -1.646  1.00  0.00           C  
HETATM   14  C   UNL     1       6.042   0.589  -0.289  1.00  0.00           C  
HETATM   15  C   UNL     1       6.889   1.202   0.828  1.00  0.00           C  
HETATM   16  C   UNL     1       4.635   1.121  -0.202  1.00  0.00           C  
HETATM   17  C   UNL     1       3.567   0.246  -0.009  1.00  0.00           C  
HETATM   18  CA  UNL     1       2.178  -1.508   0.297  1.00  0.00           C  
HETATM   19  C   UNL     1       1.714  -2.886   0.472  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.357  -0.247   0.833  1.00  0.00           C  
HETATM   21  N   UNL     1       3.492  -1.119   0.133  1.00  0.00           N  
HETATM   22  O   UNL     1       0.528  -3.115   0.612  1.00  0.00           O  
HETATM   23  OXT UNL     1       2.603  -3.901   0.479  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.773   1.121  -1.382  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.538   2.380   0.708  1.00  0.00           O  
HETATM   26  S   UNL     1      -5.010   1.234   0.014  1.00  0.00           S  
HETATM   27 CL   UNL     1      -3.300  -1.667  -1.599  1.00  0.00          Cl  
HETATM   28  H   UNL     1       1.046   2.540   0.015  1.00  0.00           H  
HETATM   29  H   UNL     1       2.943   4.042  -0.322  1.00  0.00           H  
HETATM   30  H   UNL     1       5.230   3.149  -0.461  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.061   0.756   2.260  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.509   0.809   2.490  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.981   1.058   1.386  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.314   1.916  -0.138  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.152   0.144  -0.132  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.470  -1.438  -1.402  1.00  0.00           H  
HETATM   37  H   UNL     1       6.040   0.520  -2.442  1.00  0.00           H  
HETATM   38  H   UNL     1       6.658   2.041  -1.755  1.00  0.00           H  
HETATM   39  H   UNL     1       7.661   0.572  -1.709  1.00  0.00           H  
HETATM   40  H   UNL     1       6.027  -0.496  -0.180  1.00  0.00           H  
HETATM   41  H   UNL     1       6.904   2.286   0.719  1.00  0.00           H  
HETATM   42  H   UNL     1       6.460   0.939   1.795  1.00  0.00           H  
HETATM   43  H   UNL     1       7.906   0.816   0.765  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.789  -1.137   0.373  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.618  -0.222   1.891  1.00  0.00           H  
HETATM   46  H   UNL     1       4.252  -1.722   0.117  1.00  0.00           H  
HETATM   47  HXT UNL     1       2.203  -4.773   0.600  1.00  0.00           H  
CONECT    1    2   18   18    6                                       
CONECT    2   17   17    3    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4    5    3    3   29                                       
CONECT    5   16   16    4   30                                       
CONECT    6    1   12   12    7                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9   11   11    8   20                                       
CONECT   10   26   33   34   35                                       
CONECT   11   12   27    9    9                                       
CONECT   12    6    6   11   36                                       
CONECT   13   14   37   38   39                                       
CONECT   14   13   15   16   40                                       
CONECT   15   14   41   42   43                                       
CONECT   16   14    5    5   17                                       
CONECT   17   16   21    2    2                                       
CONECT   18   21    1    1   19                                       
CONECT   19   22   22   18   23                                       
CONECT   20    9   26   44   45                                       
CONECT   21   17   18   46                                            
CONECT   22   19   19                                                 
CONECT   23   19   47                                                 
CONECT   24   26   26                                                 
CONECT   25   26   26                                                 
CONECT   26   20   24   24   25                                       
CONECT   26   25   10                                                 
CONECT   27   11                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
