COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.317   3.151  -1.345  1.00  0.00           S  
HETATM    2 CL   UNL     1       2.201   3.651   2.752  1.00  0.00          Cl  
HETATM    3  C   UNL     1       0.341   3.268  -0.762  1.00  0.00           C  
HETATM    4  C   UNL     1       5.263   3.504  -0.381  1.00  0.00           C  
HETATM    5  O   UNL     1       4.226   3.547   0.602  1.00  0.00           O  
HETATM    6  C   UNL     1       2.946   3.457   0.153  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.299   3.588  -2.697  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.136   3.745  -0.347  1.00  0.00           O  
HETATM    9  C   UNL     1       1.393   3.239  -1.660  1.00  0.00           C  
HETATM   10  C   UNL     1       0.589   3.401   0.592  1.00  0.00           C  
HETATM   11  C   UNL     1       2.694   3.330  -1.206  1.00  0.00           C  
HETATM   12  C   UNL     1       1.890   3.492   1.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.390   0.090   0.046  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.713   1.543  -1.378  1.00  0.00           N  
HETATM   15  O   UNL     1       0.344  -0.069  -0.906  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.609   0.303  -0.235  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.696  -0.740  -0.203  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.195  -1.177   1.011  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.190  -2.131   1.048  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.694  -2.656  -0.144  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.186  -2.211  -1.366  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.191  -1.255  -1.388  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.732  -3.643  -0.113  1.00  0.00           C  
HETATM   24  N   UNL     1     -11.555  -4.425  -0.089  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.725   0.766  -0.137  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.827  -0.293  -0.209  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.173   0.384  -0.234  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.243   1.594  -0.274  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.300  -0.355  -0.211  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.013  -0.337   1.267  1.00  0.00           N  
HETATM   31  C   UNL     1       1.303  -0.907   1.610  1.00  0.00           C  
HETATM   32  C   UNL     1       1.815  -1.760   0.478  1.00  0.00           C  
HETATM   33  O   UNL     1       1.035  -2.280  -0.292  1.00  0.00           O  
HETATM   34  C   UNL     1       1.044  -1.774   2.867  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.008  -0.920   3.623  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.845  -0.311   2.479  1.00  0.00           C  
HETATM   37  N   UNL     1       3.141  -1.946   0.320  1.00  0.00           N  
HETATM   38  C   UNL     1       3.639  -2.775  -0.780  1.00  0.00           C  
HETATM   39  C   UNL     1       5.144  -2.821  -0.733  1.00  0.00           C  
HETATM   40  C   UNL     1       5.781  -3.810  -0.004  1.00  0.00           C  
HETATM   41  C   UNL     1       7.159  -3.861   0.038  1.00  0.00           C  
HETATM   42  C   UNL     1       7.911  -2.905  -0.646  1.00  0.00           C  
HETATM   43  C   UNL     1       9.390  -2.951  -0.600  1.00  0.00           C  
HETATM   44  N   UNL     1      10.089  -2.058  -1.240  1.00  0.00           N  
HETATM   45  N   UNL     1      10.027  -3.938   0.119  1.00  0.00           N  
HETATM   46  C   UNL     1       7.263  -1.907  -1.373  1.00  0.00           C  
HETATM   47  C   UNL     1       5.884  -1.870  -1.413  1.00  0.00           C  
HETATM   48  H   UNL     1       5.138   4.333  -1.077  1.00  0.00           H  
HETATM   49  H   UNL     1       6.233   3.586   0.111  1.00  0.00           H  
HETATM   50  H   UNL     1       5.209   2.561  -0.924  1.00  0.00           H  
HETATM   51  H   UNL     1       1.196   3.140  -2.717  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.234   3.428   1.291  1.00  0.00           H  
HETATM   53  H   UNL     1       3.514   3.307  -1.908  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.936   1.116  -2.220  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.704   0.954   0.633  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.700   0.896  -1.146  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.804  -0.770   1.932  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.579  -2.471   1.996  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.574  -2.609  -2.291  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.797  -0.910  -2.332  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.914   1.431   0.706  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.702  -0.886  -1.114  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.763  -0.943   0.664  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.244  -1.323  -0.179  1.00  0.00           H  
HETATM   65  H   UNL     1       2.013  -0.112   1.836  1.00  0.00           H  
HETATM   66  H   UNL     1       1.953  -1.887   3.457  1.00  0.00           H  
HETATM   67  H   UNL     1       0.635  -2.746   2.594  1.00  0.00           H  
HETATM   68  H   UNL     1       0.478  -0.137   4.205  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.628  -1.547   4.264  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.746  -0.904   2.323  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.113   0.717   2.723  1.00  0.00           H  
HETATM   72  H   UNL     1       3.765  -1.530   0.936  1.00  0.00           H  
HETATM   73  H   UNL     1       3.241  -3.785  -0.682  1.00  0.00           H  
HETATM   74  H   UNL     1       3.318  -2.348  -1.730  1.00  0.00           H  
HETATM   75  H   UNL     1       5.198  -4.547   0.528  1.00  0.00           H  
HETATM   76  H   UNL     1       7.655  -4.636   0.603  1.00  0.00           H  
HETATM   77  H   UNL     1      11.058  -2.088  -1.210  1.00  0.00           H  
HETATM   78  H   UNL     1       9.506  -4.603   0.596  1.00  0.00           H  
HETATM   79  H   UNL     1      10.996  -3.968   0.149  1.00  0.00           H  
HETATM   80  H   UNL     1       7.840  -1.165  -1.905  1.00  0.00           H  
HETATM   81  H   UNL     1       5.382  -1.097  -1.976  1.00  0.00           H  
CONECT    1   14    7    7    3                                       
CONECT    1    8    8                                                 
CONECT    2   12                                                      
CONECT    3    9    1   10   10                                       
CONECT    4    5   48   49   50                                       
CONECT    5    4    6                                                 
CONECT    6   11    5   12   12                                       
CONECT    7    1    1                                                 
CONECT    8    1    1                                                 
CONECT    9   11   11    3   51                                       
CONECT   10    3    3   12   52                                       
CONECT   11    9    9    6   53                                       
CONECT   12    6    6   10    2                                       
CONECT   13   30   25   15   15                                       
CONECT   14   25    1   54                                            
CONECT   15   13   13                                                 
CONECT   16   29   17   55   56                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20   20   58                                       
CONECT   20   19   19   21   23                                       
CONECT   21   22   22   20   59                                       
CONECT   22   17   21   21   60                                       
CONECT   23   20   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25   26   13   14   61                                       
CONECT   26   27   25   62   63                                       
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   16   64                                            
CONECT   30   36   31   13                                            
CONECT   31   34   32   30   65                                       
CONECT   32   33   33   37   31                                       
CONECT   33   32   32                                                 
CONECT   34   35   31   66   67                                       
CONECT   35   34   36   68   69                                       
CONECT   36   35   30   70   71                                       
CONECT   37   38   32   72                                            
CONECT   38   37   39   73   74                                       
CONECT   39   38   40   40   47                                       
CONECT   40   39   39   41   75                                       
CONECT   41   40   42   42   76                                       
CONECT   42   41   41   46   43                                       
CONECT   43   42   45   44   44                                       
CONECT   44   43   43   77                                            
CONECT   45   43   78   79                                            
CONECT   46   47   47   42   80                                       
CONECT   47   39   46   46   81                                       
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
