COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.200  -0.493   0.193  1.00  0.00           N  
HETATM    2  N   UNL     1       4.300   2.100   0.233  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.495  -1.458   0.220  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.081  -1.506   0.120  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.466  -2.747  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       1.054  -0.771   0.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.428  -5.060  -0.190  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.047   1.122   0.726  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.966   3.706   1.145  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.356   1.917  -0.358  1.00  0.00           C  
HETATM   11  C   UNL     1       3.357  -0.241  -0.010  1.00  0.00           C  
HETATM   12  C   UNL     1       6.461   1.701   0.040  1.00  0.00           C  
HETATM   13  C   UNL     1       5.532   2.668   0.231  1.00  0.00           C  
HETATM   14  C   UNL     1       5.820   4.136   0.411  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.229  -3.904  -0.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.616  -3.835  -0.083  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.237  -2.594   0.121  1.00  0.00           C  
HETATM   18  S   UNL     1       1.276  -2.498  -0.167  1.00  0.00           S  
HETATM   19  O   UNL     1      -2.828  -6.251  -0.386  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.639  -4.997  -0.102  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.115  -0.264   0.417  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.540  -0.281   0.509  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.194   1.611   2.012  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.653   2.900   2.220  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.824   3.217  -0.155  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.158   4.074  -1.311  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.034   3.646  -2.441  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.600   5.331  -1.112  1.00  0.00           O  
HETATM   29  N   UNL     1       2.077   0.158   0.127  1.00  0.00           N  
HETATM   30  C   UNL     1       4.441   0.742   0.046  1.00  0.00           C  
HETATM   31  C   UNL     1       5.790   0.478  -0.078  1.00  0.00           C  
HETATM   32  O   UNL     1       3.612  -1.419  -0.181  1.00  0.00           O  
HETATM   33 CL   UNL     1       6.518  -1.077  -0.335  1.00  0.00          Cl  
HETATM   34 CL   UNL     1       8.179   1.936  -0.038  1.00  0.00          Cl  
HETATM   35  H   UNL     1       3.460   2.571   0.351  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.320   4.713   1.309  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.235   1.536  -1.361  1.00  0.00           H  
HETATM   38  H   UNL     1       5.824   4.628  -0.562  1.00  0.00           H  
HETATM   39  H   UNL     1       5.050   4.583   1.040  1.00  0.00           H  
HETATM   40  H   UNL     1       6.793   4.260   0.885  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.746  -4.857  -0.340  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.313  -2.540   0.200  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.402  -7.027  -0.450  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.843  -0.910   1.347  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.959  -0.679  -0.415  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.951   0.984   2.857  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.761   3.277   3.226  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.805   5.854  -1.899  1.00  0.00           H  
HETATM   49  H   UNL     1       1.873   1.096   0.263  1.00  0.00           H  
CONECT    1    4    6    6                                            
CONECT    2   30   13   35                                            
CONECT    3   21   17   17    4                                       
CONECT    4    3    1    5    5                                       
CONECT    5    4    4   18   15                                       
CONECT    6    1    1   29   18                                       
CONECT    7   16   20   20   19                                       
CONECT    8   23   23   10   22                                       
CONECT    9   24   24   25   36                                       
CONECT   10   25   25    8   37                                       
CONECT   11   29   30   32   32                                       
CONECT   12   34   31   13   13                                       
CONECT   13   12   12   14    2                                       
CONECT   14   13   38   39   40                                       
CONECT   15   16   16    5   41                                       
CONECT   16   17   15   15    7                                       
CONECT   17    3    3   16   42                                       
CONECT   18    6    5                                                 
CONECT   19    7   43                                                 
CONECT   20    7    7                                                 
CONECT   21   22    3                                                 
CONECT   22    8   21   44   45                                       
CONECT   23   24    8    8   46                                       
CONECT   24    9    9   23   47                                       
CONECT   25    9   26   10   10                                       
CONECT   26   27   27   25   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   48                                                 
CONECT   29    6   11   49                                            
CONECT   30   31   31   11    2                                       
CONECT   31   33   12   30   30                                       
CONECT   32   11   11                                                 
CONECT   33   31                                                      
CONECT   34   12                                                      
CONECT   35    2                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
