COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.954   1.311 -10.600  1.00  0.00           C  
HETATM    2  C   UNL     1       4.339   1.866  -8.243  1.00  0.00           C  
HETATM    3  C   UNL     1       5.228  -0.400  -8.801  1.00  0.00           C  
HETATM    4  C   UNL     1       4.365   0.760  -9.300  1.00  0.00           C  
HETATM    5  S   UNL     1       2.676   0.171  -9.602  1.00  0.00           S  
HETATM    6  O   UNL     1       2.726  -0.946 -10.477  1.00  0.00           O  
HETATM    7  O   UNL     1       1.852   1.281  -9.929  1.00  0.00           O  
HETATM    8  C   UNL     1       2.259  -0.402  -7.933  1.00  0.00           C  
HETATM    9  C   UNL     1       0.775  -0.769  -7.876  1.00  0.00           C  
HETATM   10  C   UNL     1       0.516  -1.989  -8.761  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.569  -1.668  -9.755  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.252  -1.125 -10.962  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.242  -0.821 -11.894  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.555  -1.059 -11.624  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.921  -1.619 -10.389  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.266  -1.879 -10.074  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.582  -2.422  -8.867  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.592  -2.726  -7.935  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.279  -2.488  -8.205  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.913  -1.933  -9.443  1.00  0.00           C  
HETATM   21  C   UNL     1       0.391  -1.088  -6.454  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.045  -2.185  -6.176  1.00  0.00           O  
HETATM   23  N   UNL     1       0.534  -0.156  -5.491  1.00  0.00           N  
HETATM   24  C   UNL     1       0.161  -0.467  -4.109  1.00  0.00           C  
HETATM   25  C   UNL     1       1.371  -1.045  -3.372  1.00  0.00           C  
HETATM   26  C   UNL     1       2.412   0.055  -3.160  1.00  0.00           C  
HETATM   27  C   UNL     1       0.926  -1.595  -2.015  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.295   0.790  -3.417  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.066   1.873  -3.913  1.00  0.00           O  
HETATM   30  N   UNL     1      -0.957   0.713  -2.245  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.531   1.920  -1.647  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.045   1.930  -1.871  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.334   1.916  -3.350  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.476   0.712  -4.015  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.742   0.699  -5.371  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.865   1.889  -6.063  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.724   3.093  -5.398  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.463   3.106  -4.041  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.238   1.935  -0.146  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.683   0.710   0.438  1.00  0.00           O  
HETATM   41  C   UNL     1       0.267   2.089   0.077  1.00  0.00           C  
HETATM   42  O   UNL     1       0.949   0.964  -0.481  1.00  0.00           O  
HETATM   43  C   UNL     1       0.555   2.166   1.578  1.00  0.00           C  
HETATM   44  C   UNL     1       2.042   2.450   1.798  1.00  0.00           C  
HETATM   45  C   UNL     1       2.325   2.526   3.277  1.00  0.00           C  
HETATM   46  C   UNL     1       2.677   1.385   3.972  1.00  0.00           C  
HETATM   47  C   UNL     1       2.936   1.454   5.328  1.00  0.00           C  
HETATM   48  C   UNL     1       2.844   2.665   5.988  1.00  0.00           C  
HETATM   49  C   UNL     1       2.493   3.807   5.293  1.00  0.00           C  
HETATM   50  C   UNL     1       2.238   3.738   3.936  1.00  0.00           C  
HETATM   51  N   UNL     1       0.202   0.891   2.208  1.00  0.00           N  
HETATM   52  C   UNL     1      -0.332   0.877   3.445  1.00  0.00           C  
HETATM   53  O   UNL     1      -0.647   1.918   3.982  1.00  0.00           O  
HETATM   54  C   UNL     1      -0.537  -0.432   4.162  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.802  -1.110   3.632  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.972  -0.126   3.692  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.578  -1.548   2.183  1.00  0.00           C  
HETATM   58  N   UNL     1      -0.681  -0.185   5.599  1.00  0.00           N  
HETATM   59  C   UNL     1      -0.281  -1.118   6.486  1.00  0.00           C  
HETATM   60  O   UNL     1       0.197  -2.161   6.095  1.00  0.00           O  
HETATM   61  C   UNL     1      -0.429  -0.864   7.964  1.00  0.00           C  
HETATM   62  C   UNL     1       0.096  -2.071   8.744  1.00  0.00           C  
HETATM   63  C   UNL     1       1.350  -1.683   9.485  1.00  0.00           C  
HETATM   64  C   UNL     1       1.270  -1.178  10.746  1.00  0.00           C  
HETATM   65  C   UNL     1       2.418  -0.814  11.447  1.00  0.00           C  
HETATM   66  C   UNL     1       3.653  -0.952  10.890  1.00  0.00           C  
HETATM   67  C   UNL     1       3.775  -1.471   9.590  1.00  0.00           C  
HETATM   68  C   UNL     1       5.032  -1.628   8.981  1.00  0.00           C  
HETATM   69  C   UNL     1       5.111  -2.133   7.720  1.00  0.00           C  
HETATM   70  C   UNL     1       3.963  -2.497   7.019  1.00  0.00           C  
HETATM   71  C   UNL     1       2.728  -2.358   7.576  1.00  0.00           C  
HETATM   72  C   UNL     1       2.607  -1.846   8.879  1.00  0.00           C  
HETATM   73  C   UNL     1      -1.906  -0.645   8.299  1.00  0.00           C  
HETATM   74  S   UNL     1      -2.064  -0.141  10.035  1.00  0.00           S  
HETATM   75  O   UNL     1      -1.798  -1.262  10.867  1.00  0.00           O  
HETATM   76  O   UNL     1      -1.343   1.066  10.233  1.00  0.00           O  
HETATM   77  C   UNL     1      -3.842   0.217  10.078  1.00  0.00           C  
HETATM   78  C   UNL     1      -4.235   0.676  11.484  1.00  0.00           C  
HETATM   79  C   UNL     1      -4.163   1.323   9.071  1.00  0.00           C  
HETATM   80  C   UNL     1      -4.626  -1.045   9.716  1.00  0.00           C  
HETATM   81  H   UNL     1       4.339   2.138 -10.956  1.00  0.00           H  
HETATM   82  H   UNL     1       5.969   1.664 -10.419  1.00  0.00           H  
HETATM   83  H   UNL     1       4.973   0.523 -11.353  1.00  0.00           H  
HETATM   84  H   UNL     1       3.724   2.693  -8.599  1.00  0.00           H  
HETATM   85  H   UNL     1       3.919   1.473  -7.317  1.00  0.00           H  
HETATM   86  H   UNL     1       5.354   2.220  -8.062  1.00  0.00           H  
HETATM   87  H   UNL     1       5.247  -1.188  -9.554  1.00  0.00           H  
HETATM   88  H   UNL     1       6.243  -0.047  -8.620  1.00  0.00           H  
HETATM   89  H   UNL     1       4.809  -0.793  -7.875  1.00  0.00           H  
HETATM   90  H   UNL     1       2.466   0.389  -7.214  1.00  0.00           H  
HETATM   91  H   UNL     1       2.860  -1.279  -7.690  1.00  0.00           H  
HETATM   92  H   UNL     1       0.179   0.071  -8.232  1.00  0.00           H  
HETATM   93  H   UNL     1       1.430  -2.252  -9.293  1.00  0.00           H  
HETATM   94  H   UNL     1       0.203  -2.829  -8.140  1.00  0.00           H  
HETATM   95  H   UNL     1       0.781  -0.926 -11.201  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.964  -0.389 -12.844  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.312  -0.818 -12.356  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.044  -1.648 -10.787  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.617  -2.620  -8.628  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.870  -3.156  -6.984  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.522  -2.727  -7.472  1.00  0.00           H  
HETATM  102  H   UNL     1       0.884   0.720  -5.713  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.648  -1.197  -4.107  1.00  0.00           H  
HETATM  104  H   UNL     1       1.807  -1.849  -3.964  1.00  0.00           H  
HETATM  105  H   UNL     1       3.274  -0.356  -2.635  1.00  0.00           H  
HETATM  106  H   UNL     1       2.729   0.446  -4.127  1.00  0.00           H  
HETATM  107  H   UNL     1       1.976   0.859  -2.567  1.00  0.00           H  
HETATM  108  H   UNL     1       0.610  -0.771  -1.375  1.00  0.00           H  
HETATM  109  H   UNL     1       0.094  -2.284  -2.157  1.00  0.00           H  
HETATM  110  H   UNL     1       1.758  -2.121  -1.546  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.054  -0.142  -1.799  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.090   2.802  -2.112  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.487   1.049  -1.406  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.472   2.829  -1.426  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.380  -0.217  -3.474  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.852  -0.241  -5.891  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.072   1.879  -7.123  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.820   4.023  -5.939  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.352   4.047  -3.521  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.761   2.771   0.318  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.170   0.001   0.027  1.00  0.00           H  
HETATM  122  H   UNL     1       0.615   3.002  -0.406  1.00  0.00           H  
HETATM  123  H   UNL     1       0.613   0.180  -0.026  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.037   2.966   2.021  1.00  0.00           H  
HETATM  125  H   UNL     1       2.634   1.650   1.356  1.00  0.00           H  
HETATM  126  H   UNL     1       2.304   3.398   1.329  1.00  0.00           H  
HETATM  127  H   UNL     1       2.749   0.438   3.457  1.00  0.00           H  
HETATM  128  H   UNL     1       3.211   0.562   5.872  1.00  0.00           H  
HETATM  129  H   UNL     1       3.047   2.719   7.048  1.00  0.00           H  
HETATM  130  H   UNL     1       2.421   4.753   5.808  1.00  0.00           H  
HETATM  131  H   UNL     1       1.963   4.630   3.392  1.00  0.00           H  
HETATM  132  H   UNL     1       0.354   0.058   1.736  1.00  0.00           H  
HETATM  133  H   UNL     1       0.321  -1.080   3.989  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.030  -1.983   4.244  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.873  -0.609   3.315  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.132   0.185   4.724  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.744   0.746   3.080  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.318  -0.679   1.578  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.766  -2.273   2.145  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.490  -2.002   1.795  1.00  0.00           H  
HETATM  141  H   UNL     1      -1.064   0.648   5.912  1.00  0.00           H  
HETATM  142  H   UNL     1       0.141   0.022   8.239  1.00  0.00           H  
HETATM  143  H   UNL     1      -0.659  -2.400   9.457  1.00  0.00           H  
HETATM  144  H   UNL     1       0.320  -2.882   8.051  1.00  0.00           H  
HETATM  145  H   UNL     1       0.303  -1.057  11.211  1.00  0.00           H  
HETATM  146  H   UNL     1       2.328  -0.415  12.446  1.00  0.00           H  
HETATM  147  H   UNL     1       4.534  -0.666  11.445  1.00  0.00           H  
HETATM  148  H   UNL     1       5.930  -1.350   9.512  1.00  0.00           H  
HETATM  149  H   UNL     1       6.078  -2.253   7.255  1.00  0.00           H  
HETATM  150  H   UNL     1       4.053  -2.895   6.019  1.00  0.00           H  
HETATM  151  H   UNL     1       1.847  -2.644   7.021  1.00  0.00           H  
HETATM  152  H   UNL     1      -2.312   0.135   7.656  1.00  0.00           H  
HETATM  153  H   UNL     1      -2.456  -1.571   8.137  1.00  0.00           H  
HETATM  154  H   UNL     1      -5.303   0.891  11.510  1.00  0.00           H  
HETATM  155  H   UNL     1      -4.006  -0.112  12.201  1.00  0.00           H  
HETATM  156  H   UNL     1      -3.676   1.575  11.742  1.00  0.00           H  
HETATM  157  H   UNL     1      -3.605   2.223   9.329  1.00  0.00           H  
HETATM  158  H   UNL     1      -3.883   0.996   8.070  1.00  0.00           H  
HETATM  159  H   UNL     1      -5.231   1.539   9.098  1.00  0.00           H  
HETATM  160  H   UNL     1      -4.397  -1.834  10.433  1.00  0.00           H  
HETATM  161  H   UNL     1      -5.694  -0.830   9.742  1.00  0.00           H  
HETATM  162  H   UNL     1      -4.346  -1.372   8.715  1.00  0.00           H  
CONECT    1    4   81   82   83                                       
CONECT    2    4   84   85   86                                       
CONECT    3    4   87   88   89                                       
CONECT    4    1    2    3    5                                       
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9   90   91                                       
CONECT    9    8   10   21   92                                       
CONECT   10    9   11   93   94                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11   13   95                                       
CONECT   13   12   14   14   96                                       
CONECT   14   13   13   15   97                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   98                                       
CONECT   17   16   18   18   99                                       
CONECT   18   17   17   19  100                                       
CONECT   19   18   20   20  101                                       
CONECT   20   11   15   19   19                                       
CONECT   21    9   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24  102                                            
CONECT   24   23   25   28  103                                       
CONECT   25   24   26   27  104                                       
CONECT   26   25  105  106  107                                       
CONECT   27   25  108  109  110                                       
CONECT   28   24   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31  111                                            
CONECT   31   30   32   39  112                                       
CONECT   32   31   33  113  114                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35  115                                       
CONECT   35   34   36   36  116                                       
CONECT   36   35   35   37  117                                       
CONECT   37   36   38   38  118                                       
CONECT   38   33   37   37  119                                       
CONECT   39   31   40   41  120                                       
CONECT   40   39  121                                                 
CONECT   41   39   42   43  122                                       
CONECT   42   41  123                                                 
CONECT   43   41   44   51  124                                       
CONECT   44   43   45  125  126                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45   47  127                                       
CONECT   47   46   48   48  128                                       
CONECT   48   47   47   49  129                                       
CONECT   49   48   50   50  130                                       
CONECT   50   45   49   49  131                                       
CONECT   51   43   52  132                                            
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   55   58  133                                       
CONECT   55   54   56   57  134                                       
CONECT   56   55  135  136  137                                       
CONECT   57   55  138  139  140                                       
CONECT   58   54   59  141                                            
CONECT   59   58   60   60   61                                       
CONECT   60   59   59                                                 
CONECT   61   59   62   73  142                                       
CONECT   62   61   63  143  144                                       
CONECT   63   62   64   64   72                                       
CONECT   64   63   63   65  145                                       
CONECT   65   64   66   66  146                                       
CONECT   66   65   65   67  147                                       
CONECT   67   66   68   68   72                                       
CONECT   68   67   67   69  148                                       
CONECT   69   68   70   70  149                                       
CONECT   70   69   69   71  150                                       
CONECT   71   70   72   72  151                                       
CONECT   72   63   67   71   71                                       
CONECT   73   61   74  152  153                                       
CONECT   74   73   75   75   76                                       
CONECT   74   76   77                                                 
CONECT   75   74   74                                                 
CONECT   76   74   74                                                 
CONECT   77   74   78   79   80                                       
CONECT   78   77  154  155  156                                       
CONECT   79   77  157  158  159                                       
CONECT   80   77  160  161  162                                       
CONECT   81    1                                                      
CONECT   82    1                                                      
CONECT   83    1                                                      
CONECT   84    2                                                      
CONECT   85    2                                                      
CONECT   86    2                                                      
CONECT   87    3                                                      
CONECT   88    3                                                      
CONECT   89    3                                                      
CONECT   90    8                                                      
CONECT   91    8                                                      
CONECT   92    9                                                      
CONECT   93   10                                                      
CONECT   94   10                                                      
CONECT   95   12                                                      
CONECT   96   13                                                      
CONECT   97   14                                                      
CONECT   98   16                                                      
CONECT   99   17                                                      
CONECT  100   18                                                      
CONECT  101   19                                                      
CONECT  102   23                                                      
CONECT  103   24                                                      
CONECT  104   25                                                      
CONECT  105   26                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   27                                                      
CONECT  109   27                                                      
CONECT  110   27                                                      
CONECT  111   30                                                      
CONECT  112   31                                                      
CONECT  113   32                                                      
CONECT  114   32                                                      
CONECT  115   34                                                      
CONECT  116   35                                                      
CONECT  117   36                                                      
CONECT  118   37                                                      
CONECT  119   38                                                      
CONECT  120   39                                                      
CONECT  121   40                                                      
CONECT  122   41                                                      
CONECT  123   42                                                      
CONECT  124   43                                                      
CONECT  125   44                                                      
CONECT  126   44                                                      
CONECT  127   46                                                      
CONECT  128   47                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   51                                                      
CONECT  133   54                                                      
CONECT  134   55                                                      
CONECT  135   56                                                      
CONECT  136   56                                                      
CONECT  137   56                                                      
CONECT  138   57                                                      
CONECT  139   57                                                      
CONECT  140   57                                                      
CONECT  141   58                                                      
CONECT  142   61                                                      
CONECT  143   62                                                      
CONECT  144   62                                                      
CONECT  145   64                                                      
CONECT  146   65                                                      
CONECT  147   66                                                      
CONECT  148   68                                                      
CONECT  149   69                                                      
CONECT  150   70                                                      
CONECT  151   71                                                      
CONECT  152   73                                                      
CONECT  153   73                                                      
CONECT  154   78                                                      
CONECT  155   78                                                      
CONECT  156   78                                                      
CONECT  157   79                                                      
CONECT  158   79                                                      
CONECT  159   79                                                      
CONECT  160   80                                                      
CONECT  161   80                                                      
CONECT  162   80                                                      
MASTER        0    0    0    0    0    0    0    0  162    0  162    0
END
