COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.476   0.422   0.877  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.924  -0.614  -1.053  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.558   0.597  -0.856  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.011   1.517   0.021  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.838   1.225   0.686  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.190   0.010   0.486  1.00  0.00           C  
HETATM    7  C   UNL     1       2.522   0.914   0.087  1.00  0.00           C  
HETATM    8  C   UNL     1       4.794   0.859  -0.631  1.00  0.00           C  
HETATM    9  C   UNL     1       6.438  -0.522   0.633  1.00  0.00           C  
HETATM   10  C   UNL     1       4.018  -0.795   1.120  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.021   0.887  -0.693  1.00  0.00           O  
HETATM   12  C   UNL     1       0.218   0.407   0.395  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.893  -0.207   1.208  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.803   3.039   0.286  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -2.755  -0.908  -0.374  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.992  -2.482  -0.633  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.701  -2.574  -2.021  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.776  -3.438   0.068  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.530  -2.384   0.162  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.561  -1.669   1.454  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.961   0.509   2.558  1.00  0.00           C  
HETATM   22  C   UNL     1       3.795   0.346   0.167  1.00  0.00           C  
HETATM   23  C   UNL     1       5.303  -1.543   0.765  1.00  0.00           C  
HETATM   24  C   UNL     1       6.196   0.313  -0.624  1.00  0.00           C  
HETATM   25  C   UNL     1       4.500   1.919  -1.477  1.00  0.00           C  
HETATM   26  N   UNL     1       3.288   2.432  -1.533  1.00  0.00           N  
HETATM   27  C   UNL     1       2.305   1.968  -0.789  1.00  0.00           C  
HETATM   28  H   UNL     1       1.658   0.088   1.769  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.345  -1.337  -1.736  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.473   0.825  -1.384  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.418   1.948   1.369  1.00  0.00           H  
HETATM   32  H   UNL     1       6.450   0.129   1.507  1.00  0.00           H  
HETATM   33  H   UNL     1       7.392  -1.043   0.552  1.00  0.00           H  
HETATM   34  H   UNL     1       4.095  -0.407   2.135  1.00  0.00           H  
HETATM   35  H   UNL     1       3.175  -1.484   1.060  1.00  0.00           H  
HETATM   36  H   UNL     1       0.283  -2.771  -0.199  1.00  0.00           H  
HETATM   37  H   UNL     1       0.413  -1.746   1.936  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.322  -2.112   2.097  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.222   1.556   2.401  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.717   0.035   3.183  1.00  0.00           H  
HETATM   41  H   UNL     1       0.009   0.447   3.051  1.00  0.00           H  
HETATM   42  H   UNL     1       5.172  -2.070  -0.180  1.00  0.00           H  
HETATM   43  H   UNL     1       5.542  -2.256   1.555  1.00  0.00           H  
HETATM   44  H   UNL     1       6.343  -0.312  -1.505  1.00  0.00           H  
HETATM   45  H   UNL     1       6.905   1.140  -0.650  1.00  0.00           H  
HETATM   46  H   UNL     1       5.279   2.329  -2.104  1.00  0.00           H  
HETATM   47  H   UNL     1       1.322   2.411  -0.862  1.00  0.00           H  
CONECT    1    7   12   28                                            
CONECT    2   15   15    3   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4    5   14    3    3                                       
CONECT    5    6    6    4   31                                       
CONECT    6   13    5    5   15                                       
CONECT    7   22   22   27    1                                       
CONECT    8   24   25   25   22                                       
CONECT    9   24   23   32   33                                       
CONECT   10   23   22   34   35                                       
CONECT   11   12   12                                                 
CONECT   12    1   13   11   11                                       
CONECT   13   21   12   20    6                                       
CONECT   14    4                                                      
CONECT   15    6   16    2    2                                       
CONECT   16   19   15   18   18                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16   36                                            
CONECT   20   13   19   37   38                                       
CONECT   21   13   39   40   41                                       
CONECT   22    8   10    7    7                                       
CONECT   23    9   10   42   43                                       
CONECT   24    8    9   44   45                                       
CONECT   25    8    8   26   46                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26    7   47                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
