COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.083   1.011  -4.026  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.827   2.172  -3.326  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.288   4.179  -1.539  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.196   3.748  -0.130  1.00  0.00           C  
HETATM    5  C   UNL     1       0.546   0.863   2.993  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.129  -5.592   0.856  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.543   7.170   1.093  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.788   0.880   2.703  1.00  0.00           C  
HETATM    9  C   UNL     1       6.852   1.920   0.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.168  -0.198  -3.359  1.00  0.00           C  
HETATM   11  C   UNL     1       0.474  -4.585   1.574  1.00  0.00           C  
HETATM   12  C   UNL     1       6.173   1.934   1.786  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.040   5.342  -0.838  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.936   4.909   0.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.267  -4.423  -2.565  1.00  0.00           C  
HETATM   16  C   UNL     1       0.687  -3.244  -0.412  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.624  -1.317   1.717  1.00  0.00           C  
HETATM   18  C   UNL     1       6.139  -0.463   1.804  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.837  -5.631  -2.695  1.00  0.00           C  
HETATM   20  C   UNL     1       0.082  -4.263  -1.151  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.371   3.376  -1.190  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.647   2.128  -1.944  1.00  0.00           C  
HETATM   23  C   UNL     1       1.324  -0.248   2.649  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.727   0.910  -1.275  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.329  -5.447  -0.513  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.384  -0.206   2.064  1.00  0.00           C  
HETATM   27  C   UNL     1       7.173   0.709  -0.016  1.00  0.00           C  
HETATM   28  C   UNL     1       6.813  -0.484   0.598  1.00  0.00           C  
HETATM   29  C   UNL     1       0.883  -3.411   0.945  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.990  -0.250  -1.984  1.00  0.00           C  
HETATM   31  C   UNL     1       0.729  -1.344   2.006  1.00  0.00           C  
HETATM   32  C   UNL     1       5.817   0.745   2.396  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.861   5.707   0.215  1.00  0.00           C  
HETATM   34  C   UNL     1       2.763  -0.266   2.961  1.00  0.00           C  
HETATM   35  C   UNL     1       9.686   2.928  -3.686  1.00  0.00           C  
HETATM   36  C   UNL     1       8.034   1.118  -4.155  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.980  -0.391   0.339  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.353   1.080   2.225  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.487  -0.433   0.075  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.860   1.038   1.960  1.00  0.00           C  
HETATM   41  C   UNL     1      10.318   2.639  -5.050  1.00  0.00           C  
HETATM   42  C   UNL     1       8.730   0.899  -5.501  1.00  0.00           C  
HETATM   43  C   UNL     1       9.055   1.643  -3.141  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.802  -3.881  -0.973  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.378  -4.660   0.824  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.533   0.855   0.219  1.00  0.00           C  
HETATM   47  C   UNL     1       8.353   1.940  -1.814  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.394  -3.833  -1.228  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.344  -2.597  -2.128  1.00  0.00           C  
HETATM   50  N   UNL     1      -0.885  -6.258  -1.480  1.00  0.00           N  
HETATM   51  N   UNL     1      -2.743  -0.179   1.774  1.00  0.00           N  
HETATM   52  N   UNL     1      -5.096   0.826   0.525  1.00  0.00           N  
HETATM   53  N   UNL     1       7.854   0.690  -1.235  1.00  0.00           N  
HETATM   54  N   UNL     1       3.332   0.788   3.579  1.00  0.00           N  
HETATM   55  N   UNL     1      -8.515  -3.708  -0.286  1.00  0.00           N  
HETATM   56  N   UNL     1       7.159  -1.777  -0.034  1.00  0.00           N1+
HETATM   57  O   UNL     1       8.226  -1.909  -0.606  1.00  0.00           O  
HETATM   58  O   UNL     1       3.438  -1.232   2.662  1.00  0.00           O  
HETATM   59  O   UNL     1       6.375  -2.708   0.017  1.00  0.00           O1-
HETATM   60  O   UNL     1       5.209  -0.482   4.556  1.00  0.00           O  
HETATM   61  O   UNL     1       5.245   2.018   4.538  1.00  0.00           O  
HETATM   62  O   UNL     1       9.321   2.125  -5.936  1.00  0.00           O  
HETATM   63  O   UNL     1       1.476  -2.425   1.669  1.00  0.00           O  
HETATM   64  O   UNL     1      -7.069  -1.441  -1.334  1.00  0.00           O  
HETATM   65  S   UNL     1       4.950   0.768   3.930  1.00  0.00           S  
HETATM   66  H   UNL     1      -7.223   1.046  -5.096  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.765   3.115  -3.849  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.646   3.895  -2.360  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.036   3.128   0.145  1.00  0.00           H  
HETATM   70  H   UNL     1       1.002   1.710   3.484  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.441  -6.498   1.354  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.385   1.739   2.971  1.00  0.00           H  
HETATM   73  H   UNL     1       7.130   2.849   0.109  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.373  -1.103  -3.911  1.00  0.00           H  
HETATM   75  H   UNL     1       0.632  -4.705   2.636  1.00  0.00           H  
HETATM   76  H   UNL     1       5.919   2.875   2.252  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.203   5.967  -1.111  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.574   5.199   1.391  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.095  -3.705  -3.354  1.00  0.00           H  
HETATM   80  H   UNL     1       1.004  -2.334  -0.898  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.089  -2.157   1.222  1.00  0.00           H  
HETATM   82  H   UNL     1       5.859  -1.390   2.282  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.205  -6.047  -3.622  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.254  -7.140  -1.322  1.00  0.00           H  
HETATM   85  H   UNL     1       7.996  -0.150  -1.699  1.00  0.00           H  
HETATM   86  H   UNL     1      10.453   3.279  -2.996  1.00  0.00           H  
HETATM   87  H   UNL     1       8.917   3.694  -3.795  1.00  0.00           H  
HETATM   88  H   UNL     1       7.232   1.847  -4.274  1.00  0.00           H  
HETATM   89  H   UNL     1       7.620   0.175  -3.801  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.531  -1.335   0.032  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.534   0.426  -0.228  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.911   1.914   1.680  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.175   1.208   3.293  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.665  -0.561  -0.993  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.929  -1.267   0.620  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.306   0.221   2.527  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.309   1.982   2.267  1.00  0.00           H  
HETATM   98  H   UNL     1      10.731   3.560  -5.462  1.00  0.00           H  
HETATM   99  H   UNL     1      11.114   1.904  -4.933  1.00  0.00           H  
HETATM  100  H   UNL     1       9.505   0.141  -5.390  1.00  0.00           H  
HETATM  101  H   UNL     1       7.999   0.566  -6.238  1.00  0.00           H  
HETATM  102  H   UNL     1       9.832   0.894  -2.984  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.614  -3.784  -0.252  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.907  -3.119  -1.745  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.839  -4.870  -1.431  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.492  -4.412   1.409  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.261  -4.605   1.461  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.280  -5.670   0.426  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.984   1.735   0.677  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.007  -0.043   0.614  1.00  0.00           H  
HETATM  111  H   UNL     1       9.059   2.403  -1.125  1.00  0.00           H  
HETATM  112  H   UNL     1       7.518   2.619  -1.989  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.534  -4.724  -1.842  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.460  -3.917  -0.673  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.558  -2.721  -2.872  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.304  -2.473  -2.629  1.00  0.00           H  
HETATM  117  H   UNL     1       2.794   1.559   3.818  1.00  0.00           H  
CONECT    1    2    2   66   10                                       
CONECT    2    1    1   67   22                                       
CONECT    3   13   13   68   21                                       
CONECT    4   14   69   21   21                                       
CONECT    5   70    8    8   23                                       
CONECT    6   11   11   71   25                                       
CONECT    7   33                                                      
CONECT    8    5    5   72   26                                       
CONECT    9   12   12   73   27                                       
CONECT   10    1   30   30   74                                       
CONECT   11    6    6   75   29                                       
CONECT   12    9    9   76   32                                       
CONECT   13    3    3   33   77                                       
CONECT   14    4   33   33   78                                       
CONECT   15   20   79   19   19                                       
CONECT   16   29   29   80   20                                       
CONECT   17   26   26   31   81                                       
CONECT   18   32   32   82   28                                       
CONECT   19   15   15   50   83                                       
CONECT   20   15   16   25   25                                       
CONECT   21    3    4    4   22                                       
CONECT   22    2   21   24   24                                       
CONECT   23    5   34   31   31                                       
CONECT   24   22   22   46   30                                       
CONECT   25    6   20   20   50                                       
CONECT   26    8   17   17   51                                       
CONECT   27    9   28   28   53                                       
CONECT   28   18   27   27   56                                       
CONECT   29   11   16   16   63                                       
CONECT   30   10   10   24   64                                       
CONECT   31   17   23   23   63                                       
CONECT   32   12   18   18   65                                       
CONECT   33    7   13   14   14                                       
CONECT   34   23   54   58   58                                       
CONECT   35   43   41   86   87                                       
CONECT   36   43   42   88   89                                       
CONECT   37   51   39   90   91                                       
CONECT   38   40   51   92   93                                       
CONECT   39   37   52   94   95                                       
CONECT   40   38   52   96   97                                       
CONECT   41   35   62   98   99                                       
CONECT   42   36   62  100  101                                       
CONECT   43   35   36   47  102                                       
CONECT   44   55  103  104  105                                       
CONECT   45   55  106  107  108                                       
CONECT   46   24   52  109  110                                       
CONECT   47   43   53  111  112                                       
CONECT   48   49   55  113  114                                       
CONECT   49   48   64  115  116                                       
CONECT   50   19   25   84                                            
CONECT   51   26   37   38                                            
CONECT   52   39   40   46                                            
CONECT   53   27   47   85                                            
CONECT   54   34   65  117                                            
CONECT   55   44   45   48                                            
CONECT   56   28   57   57   59                                       
CONECT   57   56   56                                                 
CONECT   58   34   34                                                 
CONECT   59   56                                                      
CONECT   60   65   65                                                 
CONECT   61   65   65                                                 
CONECT   62   41   42                                                 
CONECT   63   29   31                                                 
CONECT   64   30   49                                                 
CONECT   65   32   54   60   60                                       
CONECT   65   61   61                                                 
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   50                                                      
CONECT   85   53                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
CONECT  115   49                                                      
CONECT  116   49                                                      
CONECT  117   54                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
