COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.227  -0.225  -2.244  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.071  -0.495  -1.072  1.00  0.00           N  
HETATM    3  O   UNL     1       2.700  -4.845   2.267  1.00  0.00           O  
HETATM    4  S   UNL     1       2.607  -4.363   0.933  1.00  0.00           S  
HETATM    5 CL   UNL     1      -5.171   5.264   0.008  1.00  0.00          Cl  
HETATM    6  C   UNL     1      -6.975  -1.906  -0.671  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.675  -1.970  -1.508  1.00  0.00           N  
HETATM    8  O   UNL     1       2.999  -5.127  -0.199  1.00  0.00           O  
HETATM    9  S   UNL     1       5.013   3.379  -0.413  1.00  0.00           S  
HETATM   10  C   UNL     1      -5.520  -2.240  -0.336  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.112  -2.363  -2.922  1.00  0.00           N  
HETATM   12  O   UNL     1       4.936  -0.801   4.287  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.772  -0.560  -1.909  1.00  0.00           C  
HETATM   14  N   UNL     1       1.493  -3.225  -1.495  1.00  0.00           N  
HETATM   15  O   UNL     1       4.751   1.001   3.207  1.00  0.00           O1-
HETATM   16  C   UNL     1      -8.467  -0.115  -1.330  1.00  0.00           C  
HETATM   17  N   UNL     1       1.021  -3.952   0.694  1.00  0.00           N  
HETATM   18  C   UNL     1      -9.249  -0.172  -0.043  1.00  0.00           C  
HETATM   19  N   UNL     1       4.745  -0.216   3.236  1.00  0.00           N1+
HETATM   20  C   UNL     1     -10.143  -1.200   0.177  1.00  0.00           C  
HETATM   21  N   UNL     1       5.764   0.649   0.741  1.00  0.00           N  
HETATM   22  C   UNL     1     -10.862  -1.253   1.358  1.00  0.00           C  
HETATM   23  N   UNL     1       8.909  -1.819  -0.776  1.00  0.00           N  
HETATM   24  C   UNL     1     -10.689  -0.279   2.324  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.797   0.753   2.115  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.066   0.809   0.930  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.101   1.913   0.701  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.226   2.730  -0.420  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.326   3.756  -0.628  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.300   3.973   0.275  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.171   3.163   1.391  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.069   2.139   1.611  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.352  -2.331  -1.263  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.402  -2.152  -2.250  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.999  -2.869  -0.021  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.713  -3.229   0.244  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.729  -3.060  -0.738  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.075  -2.515  -1.999  1.00  0.00           C  
HETATM   39  C   UNL     1       1.124  -2.713  -2.657  1.00  0.00           C  
HETATM   40  C   UNL     1       0.622  -3.418  -0.513  1.00  0.00           C  
HETATM   41  C   UNL     1       3.546  -2.873   0.876  1.00  0.00           C  
HETATM   42  C   UNL     1       3.770  -2.154   2.036  1.00  0.00           C  
HETATM   43  C   UNL     1       4.506  -0.985   1.995  1.00  0.00           C  
HETATM   44  C   UNL     1       5.020  -0.533   0.786  1.00  0.00           C  
HETATM   45  C   UNL     1       4.793  -1.258  -0.377  1.00  0.00           C  
HETATM   46  C   UNL     1       4.062  -2.428  -0.328  1.00  0.00           C  
HETATM   47  C   UNL     1       6.436   1.044  -0.499  1.00  0.00           C  
HETATM   48  C   UNL     1       7.799   0.355  -0.583  1.00  0.00           C  
HETATM   49  C   UNL     1       7.600  -1.158  -0.696  1.00  0.00           C  
HETATM   50  C   UNL     1       8.772  -3.276  -0.646  1.00  0.00           C  
HETATM   51  C   UNL     1       9.602  -1.464  -2.022  1.00  0.00           C  
HETATM   52  C   UNL     1       6.629   2.562  -0.513  1.00  0.00           C  
HETATM   53  C   UNL     1       5.431   5.090  -0.441  1.00  0.00           C  
HETATM   54  C   UNL     1       4.431   6.053  -0.380  1.00  0.00           C  
HETATM   55  C   UNL     1       4.762   7.393  -0.401  1.00  0.00           C  
HETATM   56  C   UNL     1       6.088   7.778  -0.484  1.00  0.00           C  
HETATM   57  C   UNL     1       7.086   6.823  -0.546  1.00  0.00           C  
HETATM   58  C   UNL     1       6.763   5.481  -0.518  1.00  0.00           C  
HETATM   59  H   UNL     1      -6.558  -0.841  -3.080  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.306   0.828  -2.514  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.599  -2.078   0.206  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.315  -2.540  -1.489  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.189  -1.624   0.501  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.441  -3.293  -0.066  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.148  -0.388  -2.786  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.432   0.075  -1.091  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.499   0.898  -1.730  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.904  -0.805  -2.051  1.00  0.00           H  
HETATM   69  H   UNL     1       0.373  -4.087   1.403  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.283  -1.963  -0.574  1.00  0.00           H  
HETATM   71  H   UNL     1       5.836   1.207   1.531  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.562  -2.059   1.526  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.253  -0.325   3.244  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.662   1.514   2.869  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.026   2.561  -1.126  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.423   4.390  -1.497  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.369   3.337   2.093  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.970   1.511   2.484  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.682  -1.736  -3.206  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.757  -3.001   0.738  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.454  -3.643   1.207  1.00  0.00           H  
HETATM   82  H   UNL     1       1.874  -2.576  -3.422  1.00  0.00           H  
HETATM   83  H   UNL     1       3.370  -2.506   2.975  1.00  0.00           H  
HETATM   84  H   UNL     1       5.192  -0.908  -1.318  1.00  0.00           H  
HETATM   85  H   UNL     1       3.889  -2.994  -1.231  1.00  0.00           H  
HETATM   86  H   UNL     1       5.826   0.748  -1.353  1.00  0.00           H  
HETATM   87  H   UNL     1       8.336   0.717  -1.460  1.00  0.00           H  
HETATM   88  H   UNL     1       8.376   0.580   0.314  1.00  0.00           H  
HETATM   89  H   UNL     1       7.023  -1.383  -1.593  1.00  0.00           H  
HETATM   90  H   UNL     1       7.063  -1.520   0.182  1.00  0.00           H  
HETATM   91  H   UNL     1       8.139  -3.654  -1.449  1.00  0.00           H  
HETATM   92  H   UNL     1       9.756  -3.741  -0.710  1.00  0.00           H  
HETATM   93  H   UNL     1       8.319  -3.514   0.316  1.00  0.00           H  
HETATM   94  H   UNL     1       9.753  -0.386  -2.059  1.00  0.00           H  
HETATM   95  H   UNL     1      10.569  -1.968  -2.056  1.00  0.00           H  
HETATM   96  H   UNL     1       9.000  -1.777  -2.875  1.00  0.00           H  
HETATM   97  H   UNL     1       7.129   2.856  -1.436  1.00  0.00           H  
HETATM   98  H   UNL     1       7.239   2.858   0.341  1.00  0.00           H  
HETATM   99  H   UNL     1       3.395   5.753  -0.315  1.00  0.00           H  
HETATM  100  H   UNL     1       3.985   8.142  -0.354  1.00  0.00           H  
HETATM  101  H   UNL     1       6.345   8.827  -0.502  1.00  0.00           H  
HETATM  102  H   UNL     1       8.121   7.127  -0.611  1.00  0.00           H  
HETATM  103  H   UNL     1       7.543   4.735  -0.561  1.00  0.00           H  
CONECT    1    2   13   59   60                                       
CONECT    2    1    6   16                                            
CONECT    3    4    4                                                 
CONECT    4    3    3    8    8                                       
CONECT    4   17   41                                                 
CONECT    5   30                                                      
CONECT    6    2   10   61   62                                       
CONECT    7   10   13   33                                            
CONECT    8    4    4                                                 
CONECT    9   52   53                                                 
CONECT   10    6    7   63   64                                       
CONECT   11   38   38   39                                            
CONECT   12   19   19                                                 
CONECT   13    1    7   65   66                                       
CONECT   14   39   39   40                                            
CONECT   15   19                                                      
CONECT   16    2   18   67   68                                       
CONECT   17    4   40   69                                            
CONECT   18   16   20   20   26                                       
CONECT   19   12   12   15   43                                       
CONECT   20   18   18   22   70                                       
CONECT   21   44   47   71                                            
CONECT   22   20   24   24   72                                       
CONECT   23   49   50   51                                            
CONECT   24   22   22   25   73                                       
CONECT   25   24   26   26   74                                       
CONECT   26   18   25   25   27                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   75                                       
CONECT   29   28   30   30   76                                       
CONECT   30    5   29   29   31                                       
CONECT   31   30   32   32   77                                       
CONECT   32   27   31   31   78                                       
CONECT   33    7   34   34   35                                       
CONECT   34   33   33   38   79                                       
CONECT   35   33   36   36   80                                       
CONECT   36   35   35   37   81                                       
CONECT   37   36   38   40   40                                       
CONECT   38   11   11   34   37                                       
CONECT   39   11   14   14   82                                       
CONECT   40   14   17   37   37                                       
CONECT   41    4   42   42   46                                       
CONECT   42   41   41   43   83                                       
CONECT   43   19   42   44   44                                       
CONECT   44   21   43   43   45                                       
CONECT   45   44   46   46   84                                       
CONECT   46   41   45   45   85                                       
CONECT   47   21   48   52   86                                       
CONECT   48   47   49   87   88                                       
CONECT   49   23   48   89   90                                       
CONECT   50   23   91   92   93                                       
CONECT   51   23   94   95   96                                       
CONECT   52    9   47   97   98                                       
CONECT   53    9   54   54   58                                       
CONECT   54   53   53   55   99                                       
CONECT   55   54   56   56  100                                       
CONECT   56   55   55   57  101                                       
CONECT   57   56   58   58  102                                       
CONECT   58   53   57   57  103                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   42                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   48                                                      
CONECT   89   49                                                      
CONECT   90   49                                                      
CONECT   91   50                                                      
CONECT   92   50                                                      
CONECT   93   50                                                      
CONECT   94   51                                                      
CONECT   95   51                                                      
CONECT   96   51                                                      
CONECT   97   52                                                      
CONECT   98   52                                                      
CONECT   99   54                                                      
CONECT  100   55                                                      
CONECT  101   56                                                      
CONECT  102   57                                                      
CONECT  103   58                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
