COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.240  -0.113   0.095  1.00  0.00           N  
HETATM    2  C   UNL     1       1.265  -1.066   1.208  1.00  0.00           C  
HETATM    3  C   UNL     1       1.661  -0.350   2.473  1.00  0.00           C  
HETATM    4  O   UNL     1       1.898   0.835   2.448  1.00  0.00           O  
HETATM    5  O   UNL     1       1.751  -1.028   3.628  1.00  0.00           O  
HETATM    6  C   UNL     1       1.906   1.055   0.193  1.00  0.00           C  
HETATM    7  O   UNL     1       1.290   2.101   0.269  1.00  0.00           O  
HETATM    8  C   UNL     1       3.383   1.064   0.207  1.00  0.00           C  
HETATM    9  C   UNL     1       4.081   0.240   1.092  1.00  0.00           C  
HETATM   10  C   UNL     1       5.459   0.253   1.100  1.00  0.00           C  
HETATM   11  C   UNL     1       6.153   1.081   0.233  1.00  0.00           C  
HETATM   12  C   UNL     1       5.468   1.901  -0.647  1.00  0.00           C  
HETATM   13  C   UNL     1       4.087   1.894  -0.669  1.00  0.00           C  
HETATM   14 CL   UNL     1       7.889   1.091   0.250  1.00  0.00          Cl  
HETATM   15 CL   UNL     1       3.229   2.922  -1.774  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.279  -2.172   0.909  1.00  0.00           C  
HETATM   17  C   UNL     1       1.700  -3.122  -0.107  1.00  0.00           C  
HETATM   18  C   UNL     1       1.898  -2.896  -1.457  1.00  0.00           C  
HETATM   19  C   UNL     1       1.368  -3.767  -2.389  1.00  0.00           C  
HETATM   20  C   UNL     1       0.640  -4.866  -1.972  1.00  0.00           C  
HETATM   21  C   UNL     1       0.442  -5.093  -0.623  1.00  0.00           C  
HETATM   22  C   UNL     1       0.977  -4.224   0.309  1.00  0.00           C  
HETATM   23  C   UNL     1       0.492  -0.430  -1.124  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.922   0.075  -0.991  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.431   1.288  -1.330  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.769   1.536  -1.123  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.544   0.548  -0.568  1.00  0.00           C  
HETATM   28  S   UNL     1      -2.356  -0.766  -0.340  1.00  0.00           S  
HETATM   29  C   UNL     1      -4.979   0.567  -0.245  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.670  -0.466   0.302  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.050   0.002   0.447  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.224  -0.572   0.937  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.393   0.158   0.928  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.404   1.454   0.435  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.250   2.033  -0.053  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.061   1.317  -0.053  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.807   1.611  -0.453  1.00  0.00           O  
HETATM   38  H   UNL     1       0.275  -1.504   1.333  1.00  0.00           H  
HETATM   39  H   UNL     1       2.005  -0.568   4.440  1.00  0.00           H  
HETATM   40  H   UNL     1       3.542  -0.406   1.769  1.00  0.00           H  
HETATM   41  H   UNL     1       6.000  -0.384   1.785  1.00  0.00           H  
HETATM   42  H   UNL     1       6.015   2.545  -1.321  1.00  0.00           H  
HETATM   43  H   UNL     1       3.194  -1.730   0.514  1.00  0.00           H  
HETATM   44  H   UNL     1       2.505  -2.715   1.827  1.00  0.00           H  
HETATM   45  H   UNL     1       2.467  -2.037  -1.782  1.00  0.00           H  
HETATM   46  H   UNL     1       1.522  -3.590  -3.443  1.00  0.00           H  
HETATM   47  H   UNL     1       0.224  -5.546  -2.701  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.127  -5.951  -0.298  1.00  0.00           H  
HETATM   49  H   UNL     1       0.823  -4.401   1.364  1.00  0.00           H  
HETATM   50  H   UNL     1       0.970   0.049  -1.978  1.00  0.00           H  
HETATM   51  H   UNL     1       0.480  -1.510  -1.272  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.795   2.045  -1.764  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.199   2.490  -1.388  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.280  -1.435   0.576  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.217  -1.581   1.322  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.304  -0.282   1.306  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.325   2.017   0.432  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.272   3.043  -0.434  1.00  0.00           H  
CONECT    1    2    6   23                                            
CONECT    2    1    3   16   38                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   39                                                 
CONECT    6    1    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   13                                       
CONECT    9    8    8   10   40                                       
CONECT   10    9   11   11   41                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   42                                       
CONECT   13    8   12   12   15                                       
CONECT   14   11                                                      
CONECT   15   13                                                      
CONECT   16    2   17   43   44                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   45                                       
CONECT   19   18   20   20   46                                       
CONECT   20   19   19   21   47                                       
CONECT   21   20   22   22   48                                       
CONECT   22   17   21   21   49                                       
CONECT   23    1   24   50   51                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28   29                                       
CONECT   28   24   27                                                 
CONECT   29   27   30   30   37                                       
CONECT   30   29   29   31   54                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   55                                       
CONECT   33   32   34   34   56                                       
CONECT   34   33   33   35   57                                       
CONECT   35   34   36   36   58                                       
CONECT   36   31   35   35   37                                       
CONECT   37   29   36                                                 
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
