COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.876  -4.415   2.387  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.789  -3.398   2.632  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.567  -2.129   2.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.404  -1.847   1.454  1.00  0.00           C  
HETATM    5  C   UNL     1       0.523  -2.885   1.207  1.00  0.00           C  
HETATM    6  C   UNL     1       0.273  -4.169   1.688  1.00  0.00           C  
HETATM    7  C   UNL     1       1.737  -2.564   0.444  1.00  0.00           C  
HETATM    8  O   UNL     1       2.572  -3.415   0.200  1.00  0.00           O  
HETATM    9  N   UNL     1       1.893  -1.287   0.024  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.145  -0.604   0.984  1.00  0.00           N  
HETATM   11  C   UNL     1       0.946  -0.342   0.306  1.00  0.00           C  
HETATM   12  S   UNL     1       1.203   1.304  -0.268  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.368   2.057   0.223  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.461   1.588  -0.702  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.250   3.580   0.143  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.180   1.133  -1.791  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.750   1.675  -0.320  1.00  0.00           N  
HETATM   18  C   UNL     1       0.779   4.067   1.166  1.00  0.00           C  
HETATM   19  C   UNL     1       0.997   5.572   0.994  1.00  0.00           C  
HETATM   20  C   UNL     1       2.025   6.058   2.017  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.107   2.229   0.993  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.991   1.219   1.732  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.193   0.862   0.853  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.705   0.220  -0.446  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.827   1.222  -1.211  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.906  -0.168  -1.310  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.887  -1.033  -0.121  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.450  -1.701  -1.428  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.435  -0.801  -2.549  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.688  -2.033  -2.264  1.00  0.00           C  
HETATM   31  C   UNL     1       3.034  -0.931  -0.707  1.00  0.00           C  
HETATM   32  C   UNL     1       2.961  -0.791  -2.086  1.00  0.00           C  
HETATM   33  C   UNL     1       4.088  -0.439  -2.804  1.00  0.00           C  
HETATM   34  C   UNL     1       5.287  -0.226  -2.151  1.00  0.00           C  
HETATM   35  C   UNL     1       5.364  -0.365  -0.776  1.00  0.00           C  
HETATM   36  C   UNL     1       4.239  -0.711  -0.052  1.00  0.00           C  
HETATM   37 CL   UNL     1       6.872  -0.097   0.040  1.00  0.00          Cl  
HETATM   38  H   UNL     1      -1.073  -5.410   2.757  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.689  -3.613   3.190  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.286  -1.347   2.374  1.00  0.00           H  
HETATM   41  H   UNL     1       0.978  -4.966   1.503  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.607   1.765   1.246  1.00  0.00           H  
HETATM   43  H   UNL     1       0.070   3.868  -0.859  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.218   4.032   0.359  1.00  0.00           H  
HETATM   45  H   UNL     1       0.414   3.865   2.173  1.00  0.00           H  
HETATM   46  H   UNL     1       1.722   3.543   1.010  1.00  0.00           H  
HETATM   47  H   UNL     1       1.362   5.773  -0.013  1.00  0.00           H  
HETATM   48  H   UNL     1       0.053   6.095   1.151  1.00  0.00           H  
HETATM   49  H   UNL     1       2.180   7.130   1.895  1.00  0.00           H  
HETATM   50  H   UNL     1       1.660   5.856   3.024  1.00  0.00           H  
HETATM   51  H   UNL     1       2.969   5.535   1.861  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.201   2.411   1.571  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.652   3.163   0.860  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.416   0.319   1.944  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.341   1.658   2.666  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.836   0.162   1.386  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.755   1.767   0.622  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.429   2.076  -1.521  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.397   0.738  -2.088  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.537  -0.867  -0.762  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.480   0.726  -1.555  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.007  -0.754   0.458  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.498  -1.727   0.456  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.806  -1.021  -1.986  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.905  -2.617  -1.204  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.203  -0.981  -3.178  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.380  -2.496  -3.202  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.325  -2.724  -1.711  1.00  0.00           H  
HETATM   69  H   UNL     1       2.024  -0.957  -2.597  1.00  0.00           H  
HETATM   70  H   UNL     1       4.031  -0.330  -3.877  1.00  0.00           H  
HETATM   71  H   UNL     1       6.167   0.048  -2.715  1.00  0.00           H  
HETATM   72  H   UNL     1       4.298  -0.820   1.021  1.00  0.00           H  
CONECT    1    6    6    2   38                                       
CONECT    2    1    3    3   39                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    7    6                                       
CONECT    6    1    1    5   41                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   31   11                                            
CONECT   10    4   11   11                                            
CONECT   11    9   10   10   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   15   14   42                                       
CONECT   14   13   16   16   17                                       
CONECT   15   13   18   43   44                                       
CONECT   16   14   14                                                 
CONECT   17   14   21   25                                            
CONECT   18   15   19   45   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   49   50   51                                       
CONECT   21   17   22   52   53                                       
CONECT   22   21   23   54   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   25   26   27                                       
CONECT   25   17   24   58   59                                       
CONECT   26   24   29   60   61                                       
CONECT   27   24   28   62   63                                       
CONECT   28   27   30   64   65                                       
CONECT   29   26   30   66                                            
CONECT   30   28   29   67   68                                       
CONECT   31    9   32   32   36                                       
CONECT   32   31   31   33   69                                       
CONECT   33   32   34   34   70                                       
CONECT   34   33   33   35   71                                       
CONECT   35   34   37   36   36                                       
CONECT   36   31   35   35   72                                       
CONECT   37   35                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
