COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.589  -0.037  -1.934  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.781  -1.389  -2.132  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.458  -2.140  -1.187  1.00  0.00           C  
HETATM    4 CL   UNL     1     -10.696  -3.841  -1.442  1.00  0.00          Cl  
HETATM    5  C   UNL     1     -10.946  -1.540  -0.039  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.760  -0.189   0.168  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.074   0.571  -0.778  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.870   2.024  -0.560  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.321   2.943  -1.505  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.128   4.294  -1.297  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.490   4.736  -0.153  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.041   3.828   0.789  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.233   2.476   0.595  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.744   1.488   1.622  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.488   0.882   1.159  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.104  -0.251   2.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.838  -0.903   1.452  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.412   1.880   1.098  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.146   1.229   0.538  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.762   0.096   1.391  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.574  -0.478   0.953  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.919   0.044  -0.159  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.743  -0.522  -0.595  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.038  -1.570   1.631  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.862  -2.139   1.201  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.205  -1.622   0.080  1.00  0.00           C  
HETATM   27  C   UNL     1       0.055  -2.231  -0.385  1.00  0.00           C  
HETATM   28  O   UNL     1       0.628  -1.776  -1.357  1.00  0.00           O  
HETATM   29  N   UNL     1       0.572  -3.291   0.267  1.00  0.00           N  
HETATM   30  S   UNL     1       1.987  -3.974  -0.255  1.00  0.00           S  
HETATM   31  O   UNL     1       2.280  -5.031   0.649  1.00  0.00           O  
HETATM   32  O   UNL     1       1.848  -4.166  -1.656  1.00  0.00           O  
HETATM   33  C   UNL     1       3.257  -2.772  -0.041  1.00  0.00           C  
HETATM   34  C   UNL     1       3.962  -2.716   1.147  1.00  0.00           C  
HETATM   35  C   UNL     1       4.958  -1.775   1.318  1.00  0.00           C  
HETATM   36  N   UNL     1       5.712  -1.716   2.590  1.00  0.00           N1+
HETATM   37  O   UNL     1       6.045  -0.639   3.052  1.00  0.00           O1-
HETATM   38  O   UNL     1       5.999  -2.745   3.176  1.00  0.00           O  
HETATM   39  C   UNL     1       3.552  -1.890  -1.065  1.00  0.00           C  
HETATM   40  C   UNL     1       4.547  -0.947  -0.901  1.00  0.00           C  
HETATM   41  C   UNL     1       5.253  -0.884   0.294  1.00  0.00           C  
HETATM   42  N   UNL     1       6.260   0.069   0.463  1.00  0.00           N  
HETATM   43  C   UNL     1       6.459   1.111  -0.547  1.00  0.00           C  
HETATM   44  C   UNL     1       7.906   1.605  -0.492  1.00  0.00           C  
HETATM   45  C   UNL     1       8.849   0.468  -0.892  1.00  0.00           C  
HETATM   46  N   UNL     1      10.238   0.942  -0.839  1.00  0.00           N1+
HETATM   47  C   UNL     1      10.407   2.068  -1.767  1.00  0.00           C  
HETATM   48  C   UNL     1      10.553   1.382   0.527  1.00  0.00           C  
HETATM   49  C   UNL     1      11.143  -0.149  -1.223  1.00  0.00           C  
HETATM   50  C   UNL     1      12.568   0.340  -1.178  1.00  0.00           C  
HETATM   51  O   UNL     1      13.568  -0.468  -1.563  1.00  0.00           O  
HETATM   52  O   UNL     1      12.810   1.460  -0.794  1.00  0.00           O  
HETATM   53  C   UNL     1       5.511   2.279  -0.269  1.00  0.00           C  
HETATM   54  S   UNL     1       3.795   1.693  -0.335  1.00  0.00           S  
HETATM   55  C   UNL     1       2.865   3.151   0.004  1.00  0.00           C  
HETATM   56  C   UNL     1       3.518   4.357   0.231  1.00  0.00           C  
HETATM   57  C   UNL     1       2.787   5.497   0.496  1.00  0.00           C  
HETATM   58  C   UNL     1       1.405   5.441   0.537  1.00  0.00           C  
HETATM   59  C   UNL     1       0.752   4.243   0.312  1.00  0.00           C  
HETATM   60  C   UNL     1       1.477   3.099   0.040  1.00  0.00           C  
HETATM   61  H   UNL     1      -9.060   0.548  -2.672  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.401  -1.862  -3.026  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.474  -2.130   0.695  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.138   0.278   1.066  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.818   2.599  -2.400  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.477   5.007  -2.030  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.342   5.794   0.006  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.547   4.179   1.684  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.572   2.002   2.568  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.493   0.709   1.763  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.912   0.105   3.025  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.912  -0.982   2.032  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.535  -1.725   2.100  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.038  -1.284   0.451  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.715   2.703   0.450  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.212   2.261   2.100  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.338   0.872  -0.475  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.338   1.960   0.519  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.335   0.893  -0.681  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.236  -0.117  -1.459  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.546  -1.970   2.496  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.447  -2.986   1.727  1.00  0.00           H  
HETATM   83  H   UNL     1       0.116  -3.653   1.042  1.00  0.00           H  
HETATM   84  H   UNL     1       3.732  -3.409   1.943  1.00  0.00           H  
HETATM   85  H   UNL     1       3.003  -1.939  -1.994  1.00  0.00           H  
HETATM   86  H   UNL     1       4.776  -0.258  -1.701  1.00  0.00           H  
HETATM   87  H   UNL     1       6.827   0.040   1.249  1.00  0.00           H  
HETATM   88  H   UNL     1       6.252   0.703  -1.536  1.00  0.00           H  
HETATM   89  H   UNL     1       8.031   2.441  -1.180  1.00  0.00           H  
HETATM   90  H   UNL     1       8.140   1.931   0.522  1.00  0.00           H  
HETATM   91  H   UNL     1       8.723  -0.367  -0.203  1.00  0.00           H  
HETATM   92  H   UNL     1       8.615   0.142  -1.905  1.00  0.00           H  
HETATM   93  H   UNL     1       9.803   2.911  -1.430  1.00  0.00           H  
HETATM   94  H   UNL     1      11.456   2.362  -1.795  1.00  0.00           H  
HETATM   95  H   UNL     1      10.087   1.768  -2.765  1.00  0.00           H  
HETATM   96  H   UNL     1      10.552   0.521   1.196  1.00  0.00           H  
HETATM   97  H   UNL     1      11.538   1.850   0.540  1.00  0.00           H  
HETATM   98  H   UNL     1       9.805   2.101   0.859  1.00  0.00           H  
HETATM   99  H   UNL     1      11.023  -0.982  -0.530  1.00  0.00           H  
HETATM  100  H   UNL     1      10.905  -0.480  -2.234  1.00  0.00           H  
HETATM  101  H   UNL     1      14.465  -0.110  -1.516  1.00  0.00           H  
HETATM  102  H   UNL     1       5.718   2.687   0.720  1.00  0.00           H  
HETATM  103  H   UNL     1       5.659   3.055  -1.020  1.00  0.00           H  
HETATM  104  H   UNL     1       4.597   4.402   0.200  1.00  0.00           H  
HETATM  105  H   UNL     1       3.293   6.435   0.673  1.00  0.00           H  
HETATM  106  H   UNL     1       0.836   6.334   0.745  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.327   4.202   0.345  1.00  0.00           H  
HETATM  108  H   UNL     1       0.966   2.165  -0.140  1.00  0.00           H  
CONECT    1    7    2    2   61                                       
CONECT    2    1    1    3   62                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3                                                      
CONECT    5    6    3    3   63                                       
CONECT    6    7    7    5   64                                       
CONECT    7    8    6    6    1                                       
CONECT    8   13    7    9    9                                       
CONECT    9    8    8   10   65                                       
CONECT   10   11   11    9   66                                       
CONECT   11   12   10   10   67                                       
CONECT   12   13   13   11   68                                       
CONECT   13   14   12   12    8                                       
CONECT   14   15   13   69   70                                       
CONECT   15   18   14   16                                            
CONECT   16   15   17   71   72                                       
CONECT   17   20   16   73   74                                       
CONECT   18   19   15   75   76                                       
CONECT   19   18   20   77   78                                       
CONECT   20   19   21   17                                            
CONECT   21   22   20   24   24                                       
CONECT   22   23   23   21   79                                       
CONECT   23   22   22   26   80                                       
CONECT   24   21   21   25   81                                       
CONECT   25   26   26   24   82                                       
CONECT   26   23   27   25   25                                       
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   83                                            
CONECT   30   32   32   29   33                                       
CONECT   30   31   31                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   39   30   34   34                                       
CONECT   34   33   33   35   84                                       
CONECT   35   41   41   34   36                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36                                                      
CONECT   38   36   36                                                 
CONECT   39   40   40   33   85                                       
CONECT   40   39   39   41   86                                       
CONECT   41   40   42   35   35                                       
CONECT   42   43   41   87                                            
CONECT   43   53   42   44   88                                       
CONECT   44   43   45   89   90                                       
CONECT   45   44   46   91   92                                       
CONECT   46   45   48   49   47                                       
CONECT   47   46   93   94   95                                       
CONECT   48   46   96   97   98                                       
CONECT   49   50   46   99  100                                       
CONECT   50   52   52   51   49                                       
CONECT   51   50  101                                                 
CONECT   52   50   50                                                 
CONECT   53   54   43  102  103                                       
CONECT   54   53   55                                                 
CONECT   55   56   54   60   60                                       
CONECT   56   57   57   55  104                                       
CONECT   57   56   56   58  105                                       
CONECT   58   57   59   59  106                                       
CONECT   59   58   58   60  107                                       
CONECT   60   55   55   59  108                                       
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   29                                                      
CONECT   84   34                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   51                                                      
CONECT  102   53                                                      
CONECT  103   53                                                      
CONECT  104   56                                                      
CONECT  105   57                                                      
CONECT  106   58                                                      
CONECT  107   59                                                      
CONECT  108   60                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
