COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.903   0.632  -0.412  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.827   0.188  -1.353  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.511   0.269   1.640  1.00  0.00           C  
HETATM    4  C   UNL     1       2.088  -0.269   0.992  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.035  -1.484   0.709  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.954  -1.925  -0.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.207   0.978   1.867  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.719  -1.214   0.970  1.00  0.00           C  
HETATM    9  C   UNL     1       8.093   0.210   1.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.370  -1.274   0.249  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.341  -0.456   1.033  1.00  0.00           C  
HETATM   12  C   UNL     1       3.403  -0.275   0.255  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.169   2.954   0.024  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.813   4.255  -0.698  1.00  0.00           C  
HETATM   15  S   UNL     1       9.933   0.055  -1.008  1.00  0.00           S  
HETATM   16  C   UNL     1      -5.510  -0.208   0.618  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.156   0.183   1.077  1.00  0.00           N  
HETATM   18  C   UNL     1       8.298   0.023  -0.353  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.350  -1.091  -1.258  1.00  0.00           C  
HETATM   20  O   UNL     1       9.808   0.391  -2.383  1.00  0.00           O  
HETATM   21  O   UNL     1      10.717   0.807  -0.092  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.383   1.885  -0.505  1.00  0.00           O  
HETATM   23  N   UNL     1       0.937  -0.462   0.318  1.00  0.00           N  
HETATM   24  N   UNL     1      10.512  -1.496  -0.956  1.00  0.00           N  
HETATM   25  O   UNL     1       2.066  -0.091   2.191  1.00  0.00           O  
HETATM   26  C   UNL     1       7.221  -0.189  -1.194  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.843   0.984   1.172  1.00  0.00           C  
HETATM   28  O   UNL     1       4.469  -0.052   1.181  1.00  0.00           O  
HETATM   29  C   UNL     1       5.730  -0.027   0.676  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.216   1.009  -2.365  1.00  0.00           O  
HETATM   31 CL   UNL     1      -7.609  -3.528  -0.109  1.00  0.00          Cl  
HETATM   32  C   UNL     1       6.812   0.185   1.518  1.00  0.00           C  
HETATM   33  C   UNL     1       5.938  -0.214  -0.683  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.167   0.487  -3.295  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.882   3.107   1.520  1.00  0.00           C  
HETATM   36  H   UNL     1      -4.728   1.304   1.905  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.574  -0.356   2.530  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.728  -2.137   1.512  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.574   2.001   1.954  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.107   0.542   2.861  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.458  -1.784   0.406  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.616  -1.640   1.968  1.00  0.00           H  
HETATM   43  H   UNL     1       8.936   0.370   1.658  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.038  -2.310   0.184  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.475  -0.861  -0.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.206  -0.893   2.023  1.00  0.00           H  
HETATM   47  H   UNL     1       3.542  -1.240  -0.232  1.00  0.00           H  
HETATM   48  H   UNL     1       3.403   0.515  -0.495  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.227   2.735  -0.122  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.017   4.147  -1.763  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.412   5.071  -0.294  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.755   4.474  -0.552  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.067  -1.438  -1.987  1.00  0.00           H  
HETATM   54  H   UNL     1       0.955  -0.604  -0.642  1.00  0.00           H  
HETATM   55  H   UNL     1      11.157  -1.795  -1.616  1.00  0.00           H  
HETATM   56  H   UNL     1      10.206  -2.105  -0.266  1.00  0.00           H  
HETATM   57  H   UNL     1       7.384  -0.335  -2.252  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.940   1.432   0.184  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.134   1.560   1.767  1.00  0.00           H  
HETATM   60  H   UNL     1       6.653   0.331   2.576  1.00  0.00           H  
HETATM   61  H   UNL     1       5.097  -0.379  -1.341  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.754  -0.398  -3.779  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.082   0.220  -2.767  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.390   1.242  -4.049  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.244   2.227   2.051  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.807   3.208   1.675  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.389   3.994   1.898  1.00  0.00           H  
CONECT    1    2    2   16   22                                       
CONECT    2    1    1   19   30                                       
CONECT    3   16   17   36   37                                       
CONECT    4   12   23   25   25                                       
CONECT    5    6   16   16   38                                       
CONECT    6    5   19   19   31                                       
CONECT    7   17   27   39   40                                       
CONECT    8   10   17   41   42                                       
CONECT    9   18   18   32   43                                       
CONECT   10    8   11   44   45                                       
CONECT   11   10   23   27   46                                       
CONECT   12    4   28   47   48                                       
CONECT   13   14   22   35   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   18   20   20   21                                       
CONECT   15   21   24                                                 
CONECT   16    1    3    5    5                                       
CONECT   17    3    7    8                                            
CONECT   18    9    9   15   26                                       
CONECT   19    2    6    6   53                                       
CONECT   20   15   15                                                 
CONECT   21   15   15                                                 
CONECT   22    1   13                                                 
CONECT   23    4   11   54                                            
CONECT   24   15   55   56                                            
CONECT   25    4    4                                                 
CONECT   26   18   33   33   57                                       
CONECT   27    7   11   58   59                                       
CONECT   28   12   29                                                 
CONECT   29   28   32   32   33                                       
CONECT   30    2   34                                                 
CONECT   31    6                                                      
CONECT   32    9   29   29   60                                       
CONECT   33   26   26   29   61                                       
CONECT   34   30   62   63   64                                       
CONECT   35   13   65   66   67                                       
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   19                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
