COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.312   4.605  -0.123  1.00  0.00           C  
HETATM    2  N   UNL     1       6.027   3.919   0.068  1.00  0.00           N  
HETATM    3  C   UNL     1       5.548   3.337  -1.194  1.00  0.00           C  
HETATM    4  C   UNL     1       4.251   2.566  -0.937  1.00  0.00           C  
HETATM    5  N   UNL     1       3.248   3.477  -0.366  1.00  0.00           N  
HETATM    6  C   UNL     1       3.727   4.059   0.896  1.00  0.00           C  
HETATM    7  C   UNL     1       5.024   4.829   0.639  1.00  0.00           C  
HETATM    8  C   UNL     1       2.030   2.827  -0.184  1.00  0.00           C  
HETATM    9  C   UNL     1       0.889   3.297  -0.840  1.00  0.00           C  
HETATM   10  F   UNL     1       0.974   4.379  -1.645  1.00  0.00           F  
HETATM   11  C   UNL     1      -0.312   2.668  -0.672  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.399   1.550   0.161  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.679   0.850   0.362  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.700   1.223  -0.190  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.674  -0.319   1.257  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.489  -0.697   1.855  1.00  0.00           C  
HETATM   17  N   UNL     1       0.657  -0.036   1.648  1.00  0.00           N  
HETATM   18  C   UNL     1       1.870  -0.506   2.322  1.00  0.00           C  
HETATM   19  C   UNL     1       2.573  -1.511   1.447  1.00  0.00           C  
HETATM   20  C   UNL     1       2.265  -2.855   1.554  1.00  0.00           C  
HETATM   21  C   UNL     1       2.911  -3.777   0.752  1.00  0.00           C  
HETATM   22  C   UNL     1       3.863  -3.356  -0.157  1.00  0.00           C  
HETATM   23  C   UNL     1       4.171  -2.013  -0.264  1.00  0.00           C  
HETATM   24  C   UNL     1       3.522  -1.090   0.535  1.00  0.00           C  
HETATM   25  S   UNL     1       4.686  -4.532  -1.179  1.00  0.00           S  
HETATM   26  C   UNL     1       3.649  -4.646  -2.664  1.00  0.00           C  
HETATM   27  O   UNL     1       5.931  -3.919  -1.487  1.00  0.00           O  
HETATM   28  O   UNL     1       4.629  -5.742  -0.437  1.00  0.00           O  
HETATM   29  C   UNL     1       0.744   1.069   0.826  1.00  0.00           C  
HETATM   30  C   UNL     1       1.959   1.715   0.640  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.911  -1.071   1.510  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.896  -2.035   2.250  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.063  -0.691   0.920  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.246  -1.480   1.216  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.427  -0.911   0.474  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.208   0.066   1.063  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.292   0.588   0.383  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.596   0.133  -0.888  1.00  0.00           C  
HETATM   39 CL   UNL     1      -9.957   0.788  -1.742  1.00  0.00          Cl  
HETATM   40  C   UNL     1      -7.814  -0.845  -1.477  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.727  -1.362  -0.798  1.00  0.00           C  
HETATM   42  H   UNL     1       7.676   4.968   0.837  1.00  0.00           H  
HETATM   43  H   UNL     1       8.036   3.908  -0.547  1.00  0.00           H  
HETATM   44  H   UNL     1       7.177   5.446  -0.803  1.00  0.00           H  
HETATM   45  H   UNL     1       5.361   4.133  -1.914  1.00  0.00           H  
HETATM   46  H   UNL     1       6.302   2.657  -1.590  1.00  0.00           H  
HETATM   47  H   UNL     1       3.878   2.158  -1.876  1.00  0.00           H  
HETATM   48  H   UNL     1       4.443   1.753  -0.237  1.00  0.00           H  
HETATM   49  H   UNL     1       2.973   4.738   1.292  1.00  0.00           H  
HETATM   50  H   UNL     1       3.914   3.262   1.616  1.00  0.00           H  
HETATM   51  H   UNL     1       5.397   5.238   1.578  1.00  0.00           H  
HETATM   52  H   UNL     1       4.831   5.643  -0.061  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.191   3.034  -1.180  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.486  -1.555   2.511  1.00  0.00           H  
HETATM   55  H   UNL     1       2.532   0.340   2.509  1.00  0.00           H  
HETATM   56  H   UNL     1       1.601  -0.973   3.269  1.00  0.00           H  
HETATM   57  H   UNL     1       1.521  -3.184   2.264  1.00  0.00           H  
HETATM   58  H   UNL     1       2.671  -4.827   0.835  1.00  0.00           H  
HETATM   59  H   UNL     1       4.915  -1.684  -0.974  1.00  0.00           H  
HETATM   60  H   UNL     1       3.759  -0.040   0.449  1.00  0.00           H  
HETATM   61  H   UNL     1       3.586  -3.667  -3.139  1.00  0.00           H  
HETATM   62  H   UNL     1       4.089  -5.360  -3.360  1.00  0.00           H  
HETATM   63  H   UNL     1       2.650  -4.979  -2.384  1.00  0.00           H  
HETATM   64  H   UNL     1       2.846   1.355   1.140  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.082  -2.511   0.903  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.442  -1.453   2.288  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.971   0.421   2.055  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.902   1.351   0.844  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.051  -1.201  -2.469  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.114  -2.122  -1.260  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    3    7                                            
CONECT    3    2    4   45   46                                       
CONECT    4    3    5   47   48                                       
CONECT    5    4    8    6                                            
CONECT    6    5    7   49   50                                       
CONECT    7    2    6   51   52                                       
CONECT    8    5    9    9   30                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9                                                      
CONECT   11    9   12   12   53                                       
CONECT   12   11   11   29   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   31                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   29   18                                            
CONECT   18   17   19   55   56                                       
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   57                                       
CONECT   21   20   20   22   58                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22   24   59                                       
CONECT   24   19   19   23   60                                       
CONECT   25   22   26   27   27                                       
CONECT   25   28   28                                                 
CONECT   26   25   61   62   63                                       
CONECT   27   25   25                                                 
CONECT   28   25   25                                                 
CONECT   29   12   17   30   30                                       
CONECT   30    8   29   29   64                                       
CONECT   31   15   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34                                                 
CONECT   34   33   35   65   66                                       
CONECT   35   34   41   41   36                                       
CONECT   36   35   37   37   67                                       
CONECT   37   36   36   38   68                                       
CONECT   38   37   40   40   39                                       
CONECT   39   38                                                      
CONECT   40   38   38   41   69                                       
CONECT   41   35   35   40   70                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   11                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   40                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
