COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.689   0.871  -0.958  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.531   0.351   0.118  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.520  -0.647  -0.747  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.921  -0.160  -2.995  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.858  -2.191   1.588  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.302  -2.941   0.376  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.984  -1.119  -1.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.255  -2.652  -1.789  1.00  0.00           C  
HETATM    9  O   UNL     1     -16.004   3.456  -0.724  1.00  0.00           O  
HETATM   10  C   UNL     1     -15.002   2.798  -0.506  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.014   3.256   0.475  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.160   4.438   1.196  1.00  0.00           C  
HETATM   13  N   UNL     1     -13.231   4.795   2.061  1.00  0.00           N  
HETATM   14  C   UNL     1     -12.146   4.071   2.283  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.918   2.895   1.621  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.863   2.461   0.691  1.00  0.00           C  
HETATM   17  C   UNL     1     -12.719   1.217  -0.073  1.00  0.00           C  
HETATM   18  N   UNL     1     -14.791   1.641  -1.166  1.00  0.00           N  
HETATM   19  C   UNL     1     -15.787   1.197  -2.144  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.629   0.163  -0.928  1.00  0.00           C  
HETATM   21  O   UNL     1      -8.640  -0.831  -1.766  1.00  0.00           O  
HETATM   22  C   UNL     1      -9.306  -1.270   0.475  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.097  -2.149   0.669  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.976  -1.339   1.163  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.865  -1.972  -0.639  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.540  -0.369   0.149  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.593  -1.617  -2.701  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.507  -0.997  -2.009  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.818  -0.009  -2.777  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.196  -1.075   1.521  1.00  0.00           C  
HETATM   31  O   UNL     1      -9.982  -1.687   2.716  1.00  0.00           O  
HETATM   32  C   UNL     1     -10.938  -1.442   3.750  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.310  -0.271   1.345  1.00  0.00           C  
HETATM   34  H   UNL     1     -13.579  -0.045  -1.519  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.143  -0.392  -3.722  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.886  -0.492  -3.378  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.949   0.916  -2.823  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.209  -2.909   2.330  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.073  -1.572   2.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.453  -3.553   0.684  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.078  -3.582  -0.043  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.633  -0.402  -1.806  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.768  -1.739  -1.500  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.503  -3.359  -1.436  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.024  -3.188  -2.345  1.00  0.00           H  
HETATM   46  H   UNL     1     -15.030   5.060   1.047  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.422   4.418   3.005  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.027   2.317   1.814  1.00  0.00           H  
HETATM   49  H   UNL     1     -16.601   1.921  -2.189  1.00  0.00           H  
HETATM   50  H   UNL     1     -15.320   1.112  -3.125  1.00  0.00           H  
HETATM   51  H   UNL     1     -16.182   0.226  -1.845  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.795   0.647  -1.879  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.329  -2.930   1.393  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.824  -2.606  -0.282  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.763   0.271   0.568  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.388   0.242  -0.159  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.218  -2.111  -3.598  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.325  -0.860  -2.982  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.406  -0.469  -3.675  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.513   0.782  -3.059  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.650  -1.989   4.648  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.972  -0.375   3.969  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.922  -1.777   3.421  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.007  -0.127   2.157  1.00  0.00           H  
HETATM   65  C   UNL     1      -0.682   0.585  -1.941  1.00  0.00           C  
HETATM   66  O   UNL     1       0.289  -0.428  -1.669  1.00  0.00           O  
HETATM   67  C   UNL     1       1.398   0.025  -0.890  1.00  0.00           C  
HETATM   68  C   UNL     1       2.353  -1.118  -0.664  1.00  0.00           C  
HETATM   69  N   UNL     1       3.480  -0.924   0.050  1.00  0.00           N  
HETATM   70  O   UNL     1       2.109  -2.213  -1.125  1.00  0.00           O  
HETATM   71  C   UNL     1       4.409  -2.036   0.269  1.00  0.00           C  
HETATM   72  C   UNL     1       5.792  -1.492   0.518  1.00  0.00           C  
HETATM   73  C   UNL     1       3.954  -2.849   1.483  1.00  0.00           C  
HETATM   74  C   UNL     1       2.617  -3.524   1.172  1.00  0.00           C  
HETATM   75  C   UNL     1       5.003  -3.916   1.804  1.00  0.00           C  
HETATM   76  C   UNL     1       3.788  -1.918   2.686  1.00  0.00           C  
HETATM   77  O   UNL     1       5.935  -0.447   1.115  1.00  0.00           O  
HETATM   78  N   UNL     1       6.871  -2.169   0.076  1.00  0.00           N  
HETATM   79  C   UNL     1       6.841  -3.388  -0.751  1.00  0.00           C  
HETATM   80  C   UNL     1       8.192  -4.092  -0.469  1.00  0.00           C  
HETATM   81  C   UNL     1       9.154  -2.881  -0.340  1.00  0.00           C  
HETATM   82  C   UNL     1       8.273  -1.808   0.335  1.00  0.00           C  
HETATM   83  O   UNL     1       8.138  -4.835   0.751  1.00  0.00           O  
HETATM   84  C   UNL     1       8.578  -0.453  -0.251  1.00  0.00           C  
HETATM   85  N   UNL     1       9.816   0.067  -0.138  1.00  0.00           N  
HETATM   86  O   UNL     1       7.708   0.169  -0.824  1.00  0.00           O  
HETATM   87  C   UNL     1      10.112   1.384  -0.707  1.00  0.00           C  
HETATM   88  C   UNL     1      11.555   1.731  -0.446  1.00  0.00           C  
HETATM   89  C   UNL     1      12.526   1.372  -1.363  1.00  0.00           C  
HETATM   90  C   UNL     1      13.849   1.687  -1.130  1.00  0.00           C  
HETATM   91  C   UNL     1      14.206   2.369   0.034  1.00  0.00           C  
HETATM   92  C   UNL     1      13.221   2.729   0.955  1.00  0.00           C  
HETATM   93  C   UNL     1      11.901   2.413   0.707  1.00  0.00           C  
HETATM   94  C   UNL     1      15.622   2.710   0.290  1.00  0.00           C  
HETATM   95  S   UNL     1      16.495   2.454   1.800  1.00  0.00           S  
HETATM   96  C   UNL     1      17.908   3.121   1.107  1.00  0.00           C  
HETATM   97  N   UNL     1      17.686   3.474  -0.115  1.00  0.00           N  
HETATM   98  C   UNL     1      16.479   3.267  -0.592  1.00  0.00           C  
HETATM   99  C   UNL     1      16.082   3.631  -2.000  1.00  0.00           C  
HETATM  100  H   UNL     1      -0.213   1.400  -2.493  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.083   0.966  -1.002  1.00  0.00           H  
HETATM  102  H   UNL     1       1.911   0.828  -1.419  1.00  0.00           H  
HETATM  103  H   UNL     1       1.040   0.394   0.072  1.00  0.00           H  
HETATM  104  H   UNL     1       3.676  -0.049   0.419  1.00  0.00           H  
HETATM  105  H   UNL     1       4.423  -2.676  -0.613  1.00  0.00           H  
HETATM  106  H   UNL     1       2.735  -4.187   0.315  1.00  0.00           H  
HETATM  107  H   UNL     1       2.293  -4.103   2.037  1.00  0.00           H  
HETATM  108  H   UNL     1       1.870  -2.764   0.944  1.00  0.00           H  
HETATM  109  H   UNL     1       5.972  -3.440   1.950  1.00  0.00           H  
HETATM  110  H   UNL     1       4.716  -4.444   2.713  1.00  0.00           H  
HETATM  111  H   UNL     1       5.066  -4.623   0.977  1.00  0.00           H  
HETATM  112  H   UNL     1       3.042  -1.158   2.458  1.00  0.00           H  
HETATM  113  H   UNL     1       3.464  -2.498   3.551  1.00  0.00           H  
HETATM  114  H   UNL     1       4.741  -1.437   2.908  1.00  0.00           H  
HETATM  115  H   UNL     1       6.011  -4.028  -0.454  1.00  0.00           H  
HETATM  116  H   UNL     1       6.762  -3.129  -1.807  1.00  0.00           H  
HETATM  117  H   UNL     1       8.480  -4.734  -1.302  1.00  0.00           H  
HETATM  118  H   UNL     1      10.009  -3.133   0.288  1.00  0.00           H  
HETATM  119  H   UNL     1       9.482  -2.544  -1.323  1.00  0.00           H  
HETATM  120  H   UNL     1       8.457  -1.800   1.409  1.00  0.00           H  
HETATM  121  H   UNL     1       7.478  -5.542   0.752  1.00  0.00           H  
HETATM  122  H   UNL     1      10.511  -0.431   0.320  1.00  0.00           H  
HETATM  123  H   UNL     1       9.931   1.364  -1.782  1.00  0.00           H  
HETATM  124  H   UNL     1       9.468   2.132  -0.244  1.00  0.00           H  
HETATM  125  H   UNL     1      12.249   0.844  -2.263  1.00  0.00           H  
HETATM  126  H   UNL     1      14.607   1.406  -1.846  1.00  0.00           H  
HETATM  127  H   UNL     1      13.491   3.257   1.858  1.00  0.00           H  
HETATM  128  H   UNL     1      11.138   2.690   1.419  1.00  0.00           H  
HETATM  129  H   UNL     1      18.853   3.230   1.619  1.00  0.00           H  
HETATM  130  H   UNL     1      16.187   2.757  -2.644  1.00  0.00           H  
HETATM  131  H   UNL     1      15.046   3.967  -2.010  1.00  0.00           H  
HETATM  132  H   UNL     1      16.727   4.430  -2.364  1.00  0.00           H  
CONECT    1   17   17   18   34                                       
CONECT    2   17   33   33   20                                       
CONECT    3   20   20   22   21                                       
CONECT    4   21   35   36   37                                       
CONECT    5   24    6   38   39                                       
CONECT    6    5   25   40   41                                       
CONECT    7   26   25   42   43                                       
CONECT    8   25   27   44   45                                       
CONECT    9   10   10                                                 
CONECT   10   11    9    9   18                                       
CONECT   11   12   12   16   10                                       
CONECT   12   13   11   11   46                                       
CONECT   13   14   14   12                                            
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   11   17                                       
CONECT   17   16    2    1    1                                       
CONECT   18   10    1   19                                            
CONECT   19   18   49   50   51                                       
CONECT   20    2    3    3   52                                       
CONECT   21    3    4                                                 
CONECT   22   30   30    3   23                                       
CONECT   23   22   24   53   54                                       
CONECT   24   23    5   26                                            
CONECT   25    6    7    8                                            
CONECT   26   24    7   55   56                                       
CONECT   27   28    8   57   58                                       
CONECT   28   27   29                                                 
CONECT   29   28   59   60   65                                       
CONECT   30   33   31   22   22                                       
CONECT   31   32   30                                                 
CONECT   32   31   61   62   63                                       
CONECT   33    2    2   30   64                                       
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   29   66  100  101                                       
CONECT   66   65   67                                                 
CONECT   67   66   68  102  103                                       
CONECT   68   67   69   70   70                                       
CONECT   69   68   71  104                                            
CONECT   70   68   68                                                 
CONECT   71   69   72   73  105                                       
CONECT   72   71   77   77   78                                       
CONECT   73   71   74   75   76                                       
CONECT   74   73  106  107  108                                       
CONECT   75   73  109  110  111                                       
CONECT   76   73  112  113  114                                       
CONECT   77   72   72                                                 
CONECT   78   72   79   82                                            
CONECT   79   78   80  115  116                                       
CONECT   80   79   81   83  117                                       
CONECT   81   80   82  118  119                                       
CONECT   82   81   78   84  120                                       
CONECT   83   80  121                                                 
CONECT   84   82   85   86   86                                       
CONECT   85   84   87  122                                            
CONECT   86   84   84                                                 
CONECT   87   85   88  123  124                                       
CONECT   88   87   89   93   93                                       
CONECT   89   88   90   90  125                                       
CONECT   90   89   89   91  126                                       
CONECT   91   90   92   92   94                                       
CONECT   92   91   91   93  127                                       
CONECT   93   92   88   88  128                                       
CONECT   94   91   95   98   98                                       
CONECT   95   94   96                                                 
CONECT   96   95   97   97  129                                       
CONECT   97   96   96   98                                            
CONECT   98   97   94   94   99                                       
CONECT   99   98  130  131  132                                       
CONECT  100   65                                                      
CONECT  101   65                                                      
CONECT  102   67                                                      
CONECT  103   67                                                      
CONECT  104   69                                                      
CONECT  105   71                                                      
CONECT  106   74                                                      
CONECT  107   74                                                      
CONECT  108   74                                                      
CONECT  109   75                                                      
CONECT  110   75                                                      
CONECT  111   75                                                      
CONECT  112   76                                                      
CONECT  113   76                                                      
CONECT  114   76                                                      
CONECT  115   79                                                      
CONECT  116   79                                                      
CONECT  117   80                                                      
CONECT  118   81                                                      
CONECT  119   81                                                      
CONECT  120   82                                                      
CONECT  121   83                                                      
CONECT  122   85                                                      
CONECT  123   87                                                      
CONECT  124   87                                                      
CONECT  125   89                                                      
CONECT  126   90                                                      
CONECT  127   92                                                      
CONECT  128   93                                                      
CONECT  129   96                                                      
CONECT  130   99                                                      
CONECT  131   99                                                      
CONECT  132   99                                                      
MASTER        0    0    0    0    0    0    0    0  132    0  132    0
END
