COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.277   2.170   0.191  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.768   0.887   0.452  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.925  -0.140   0.441  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.638   0.046   0.188  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.145   1.250  -0.062  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.928   2.319  -0.068  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.786  -1.046   0.185  1.00  0.00           N  
HETATM    8  C   UNL     1       0.594  -0.859   0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       1.203   0.294   0.483  1.00  0.00           C  
HETATM   10  C   UNL     1       2.562   0.479   0.312  1.00  0.00           C  
HETATM   11  C   UNL     1       3.320  -0.489  -0.333  1.00  0.00           C  
HETATM   12  C   UNL     1       2.715  -1.645  -0.806  1.00  0.00           C  
HETATM   13  C   UNL     1       1.354  -1.834  -0.630  1.00  0.00           C  
HETATM   14  O   UNL     1       0.760  -2.968  -1.089  1.00  0.00           O  
HETATM   15  C   UNL     1       1.600  -3.925  -1.737  1.00  0.00           C  
HETATM   16  N   UNL     1       4.696  -0.299  -0.505  1.00  0.00           N  
HETATM   17  C   UNL     1       5.126   0.984   0.066  1.00  0.00           C  
HETATM   18  C   UNL     1       6.600   1.224  -0.268  1.00  0.00           C  
HETATM   19  C   UNL     1       7.441   0.080   0.306  1.00  0.00           C  
HETATM   20  C   UNL     1       6.942  -1.249  -0.268  1.00  0.00           C  
HETATM   21  C   UNL     1       5.457  -1.417   0.066  1.00  0.00           C  
HETATM   22  N   UNL     1       8.850   0.275  -0.061  1.00  0.00           N  
HETATM   23  C   UNL     1       9.688  -0.807   0.475  1.00  0.00           C  
HETATM   24  C   UNL     1      11.132  -0.611   0.004  1.00  0.00           C  
HETATM   25  N   UNL     1      11.617   0.700   0.456  1.00  0.00           N  
HETATM   26  C   UNL     1      10.779   1.782  -0.079  1.00  0.00           C  
HETATM   27  C   UNL     1       9.336   1.586   0.391  1.00  0.00           C  
HETATM   28  C   UNL     1      13.026   0.895   0.089  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.115   0.689   0.717  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.595  -0.598   0.974  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.913  -0.921   0.680  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.384  -2.194   0.935  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.545  -3.146   1.483  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.232  -2.828   1.778  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.753  -1.559   1.519  1.00  0.00           C  
HETATM   36  S   UNL     1      -7.984   0.292  -0.018  1.00  0.00           S  
HETATM   37  C   UNL     1      -7.234   0.689  -1.621  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.240  -0.557  -2.509  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.038   1.801  -2.299  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.217  -0.390  -0.199  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.883   1.400   0.867  1.00  0.00           O  
HETATM   42 CL   UNL     1      -4.339   3.543   0.186  1.00  0.00          Cl  
HETATM   43  H   UNL     1      -1.517   3.296  -0.273  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.723   1.445   0.725  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.143  -1.940   0.303  1.00  0.00           H  
HETATM   46  H   UNL     1       0.614   1.049   0.984  1.00  0.00           H  
HETATM   47  H   UNL     1       3.034   1.378   0.679  1.00  0.00           H  
HETATM   48  H   UNL     1       3.305  -2.398  -1.307  1.00  0.00           H  
HETATM   49  H   UNL     1       2.068  -3.467  -2.608  1.00  0.00           H  
HETATM   50  H   UNL     1       2.372  -4.259  -1.043  1.00  0.00           H  
HETATM   51  H   UNL     1       1.002  -4.779  -2.053  1.00  0.00           H  
HETATM   52  H   UNL     1       4.523   1.789  -0.353  1.00  0.00           H  
HETATM   53  H   UNL     1       4.998   0.960   1.148  1.00  0.00           H  
HETATM   54  H   UNL     1       5.328  -1.429   1.148  1.00  0.00           H  
HETATM   55  H   UNL     1       5.095  -2.355  -0.354  1.00  0.00           H  
HETATM   56  H   UNL     1       6.727   1.261  -1.349  1.00  0.00           H  
HETATM   57  H   UNL     1       6.923   2.168   0.170  1.00  0.00           H  
HETATM   58  H   UNL     1       7.345   0.067   1.392  1.00  0.00           H  
HETATM   59  H   UNL     1       7.074  -1.250  -1.350  1.00  0.00           H  
HETATM   60  H   UNL     1       7.508  -2.070   0.170  1.00  0.00           H  
HETATM   61  H   UNL     1       9.655  -0.788   1.564  1.00  0.00           H  
HETATM   62  H   UNL     1       9.316  -1.767   0.116  1.00  0.00           H  
HETATM   63  H   UNL     1       8.707   2.371  -0.029  1.00  0.00           H  
HETATM   64  H   UNL     1       9.299   1.633   1.479  1.00  0.00           H  
HETATM   65  H   UNL     1      11.760  -1.396   0.424  1.00  0.00           H  
HETATM   66  H   UNL     1      11.169  -0.658  -1.084  1.00  0.00           H  
HETATM   67  H   UNL     1      11.151   2.742   0.279  1.00  0.00           H  
HETATM   68  H   UNL     1      10.813   1.763  -1.169  1.00  0.00           H  
HETATM   69  H   UNL     1      13.130   0.838  -0.995  1.00  0.00           H  
HETATM   70  H   UNL     1      13.360   1.873   0.435  1.00  0.00           H  
HETATM   71  H   UNL     1      13.634   0.118   0.554  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.726  -1.312   1.745  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.410  -2.445   0.706  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.916  -4.141   1.682  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.579  -3.575   2.206  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.208   1.023  -1.470  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.713  -0.344  -3.439  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.743  -1.376  -1.989  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.269  -0.840  -2.732  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.033   2.689  -1.666  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.587   2.040  -3.262  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.064   1.468  -2.450  1.00  0.00           H  
CONECT    1    2    6    6   42                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6                                            
CONECT    6    1    1    5   43                                       
CONECT    7    4    8   45                                            
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   10   46                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   48                                       
CONECT   13    8    8   12   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   49   50   51                                       
CONECT   16   11   17   21                                            
CONECT   17   16   18   52   53                                       
CONECT   18   17   19   56   57                                       
CONECT   19   18   20   22   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   16   20   54   55                                       
CONECT   22   19   23   27                                            
CONECT   23   22   24   61   62                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   26   28                                            
CONECT   26   25   27   67   68                                       
CONECT   27   22   26   63   64                                       
CONECT   28   25   69   70   71                                       
CONECT   29    2   30   44                                            
CONECT   30   29   31   35   35                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   73                                       
CONECT   33   32   34   34   74                                       
CONECT   34   33   33   35   75                                       
CONECT   35   30   30   34   72                                       
CONECT   36   31   37   40   40                                       
CONECT   36   41   41                                                 
CONECT   37   36   38   39   76                                       
CONECT   38   37   77   78   79                                       
CONECT   39   37   80   81   82                                       
CONECT   40   36   36                                                 
CONECT   41   36   36                                                 
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44   29                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   35                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
