COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.972   0.875   0.038  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.267   2.266  -4.341  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.571   0.197   2.295  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.233   0.743   0.709  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.731   2.761  -2.037  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.684   1.131  -0.547  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.967   1.678  -0.640  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.098   0.920   1.800  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.497   2.108  -1.956  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.224   3.150  -3.272  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.491   2.907  -4.418  1.00  0.00           C  
HETATM   12  N   UNL     1     -10.963   0.189   0.879  1.00  0.00           N  
HETATM   13  N   UNL     1     -14.709   1.811   0.451  1.00  0.00           N  
HETATM   14  C   UNL     1      -9.759   2.300   0.577  1.00  0.00           C  
HETATM   15  N   UNL     1     -14.295   1.447   1.610  1.00  0.00           N  
HETATM   16  O   UNL     1      10.313  -1.183   0.271  1.00  0.00           O  
HETATM   17  C   UNL     1       9.504  -0.334  -0.038  1.00  0.00           C  
HETATM   18  N   UNL     1       9.924   0.860  -0.502  1.00  0.00           N  
HETATM   19  C   UNL     1      11.357   1.132  -0.631  1.00  0.00           C  
HETATM   20  C   UNL     1      11.595   2.619  -0.560  1.00  0.00           C  
HETATM   21  C   UNL     1      10.719   3.487  -1.187  1.00  0.00           C  
HETATM   22  C   UNL     1      10.930   4.849  -1.126  1.00  0.00           C  
HETATM   23  C   UNL     1      12.031   5.350  -0.430  1.00  0.00           C  
HETATM   24  C   UNL     1      12.263   6.809  -0.360  1.00  0.00           C  
HETATM   25  S   UNL     1      12.222   7.933  -1.716  1.00  0.00           S  
HETATM   26  C   UNL     1      12.584   9.231  -0.663  1.00  0.00           C  
HETATM   27  N   UNL     1      12.709   8.805   0.549  1.00  0.00           N  
HETATM   28  C   UNL     1      12.540   7.518   0.756  1.00  0.00           C  
HETATM   29  C   UNL     1      12.649   6.887   2.120  1.00  0.00           C  
HETATM   30  C   UNL     1      12.911   4.469   0.200  1.00  0.00           C  
HETATM   31  C   UNL     1      12.685   3.110   0.136  1.00  0.00           C  
HETATM   32  C   UNL     1      11.858   0.600  -1.975  1.00  0.00           C  
HETATM   33  C   UNL     1       8.029  -0.614   0.095  1.00  0.00           C  
HETATM   34  C   UNL     1       7.396   0.373   1.097  1.00  0.00           C  
HETATM   35  C   UNL     1       7.366  -0.442   2.417  1.00  0.00           C  
HETATM   36  O   UNL     1       6.320   0.013   3.277  1.00  0.00           O  
HETATM   37  C   UNL     1       7.075  -1.870   1.894  1.00  0.00           C  
HETATM   38  N   UNL     1       7.824  -1.970   0.625  1.00  0.00           N  
HETATM   39  C   UNL     1       8.248  -3.114   0.051  1.00  0.00           C  
HETATM   40  O   UNL     1       8.924  -3.073  -0.955  1.00  0.00           O  
HETATM   41  C   UNL     1       7.883  -4.443   0.660  1.00  0.00           C  
HETATM   42  C   UNL     1       9.039  -5.427   0.467  1.00  0.00           C  
HETATM   43  C   UNL     1      10.261  -4.937   1.247  1.00  0.00           C  
HETATM   44  C   UNL     1       8.625  -6.807   0.982  1.00  0.00           C  
HETATM   45  C   UNL     1       6.647  -4.982  -0.013  1.00  0.00           C  
HETATM   46  O   UNL     1       6.504  -5.268  -1.315  1.00  0.00           O  
HETATM   47  N   UNL     1       5.397  -5.686  -1.562  1.00  0.00           N  
HETATM   48  C   UNL     1       5.468  -5.277   0.579  1.00  0.00           C  
HETATM   49  C   UNL     1       4.655  -5.739  -0.488  1.00  0.00           C  
HETATM   50  O   UNL     1       3.366  -6.158  -0.409  1.00  0.00           O  
HETATM   51  C   UNL     1       2.748  -6.588  -1.623  1.00  0.00           C  
HETATM   52  C   UNL     1       1.308  -7.020  -1.337  1.00  0.00           C  
HETATM   53  N   UNL     1       0.527  -5.857  -0.894  1.00  0.00           N  
HETATM   54  C   UNL     1      -0.788  -6.269  -0.386  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.513  -5.055   0.199  1.00  0.00           C  
HETATM   56  C   UNL     1       0.394  -4.871  -1.974  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.297  -3.615  -1.436  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.677  -3.991  -0.890  1.00  0.00           C  
HETATM   59  O   UNL     1      -2.303  -2.833  -0.335  1.00  0.00           O  
HETATM   60  C   UNL     1      -3.096  -2.098  -1.269  1.00  0.00           C  
HETATM   61  C   UNL     1      -3.190  -0.596  -0.951  1.00  0.00           C  
HETATM   62  C   UNL     1      -4.606  -2.174  -0.989  1.00  0.00           C  
HETATM   63  C   UNL     1      -4.420  -0.935  -0.092  1.00  0.00           C  
HETATM   64  O   UNL     1      -5.478   0.019  -0.205  1.00  0.00           O  
HETATM   65  C   UNL     1      -6.274   0.187   0.881  1.00  0.00           C  
HETATM   66  N   UNL     1      -6.047  -0.521   1.976  1.00  0.00           N  
HETATM   67  C   UNL     1      -6.794  -0.392   3.057  1.00  0.00           C  
HETATM   68  C   UNL     1      -7.850   0.493   3.085  1.00  0.00           C  
HETATM   69  C   UNL     1      -7.313   1.102   0.833  1.00  0.00           C  
HETATM   70  C   UNL     1      -8.126   1.260   1.952  1.00  0.00           C  
HETATM   71  N   UNL     1      -9.184   2.164   1.944  1.00  0.00           N  
HETATM   72  C   UNL     1     -11.155   2.923   0.818  1.00  0.00           C  
HETATM   73  C   UNL     1     -11.534   2.493   2.251  1.00  0.00           C  
HETATM   74  C   UNL     1     -10.332   1.650   2.740  1.00  0.00           C  
HETATM   75  N   UNL     1     -12.696   0.541   3.079  1.00  0.00           N  
HETATM   76  C   UNL     1     -13.768   1.863  -3.118  1.00  0.00           C  
HETATM   77  O   UNL     1     -16.451   2.999  -0.910  1.00  0.00           O  
HETATM   78  H   UNL     1      -9.029   0.330   0.066  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.335   0.925  -0.989  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.701   2.075  -5.241  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.366  -0.243   2.897  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.655  -0.380   2.423  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.062   1.015  -1.423  1.00  0.00           H  
HETATM   84  H   UNL     1     -17.177   3.654  -3.338  1.00  0.00           H  
HETATM   85  H   UNL     1     -15.874   3.219  -5.378  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.132   2.902  -0.080  1.00  0.00           H  
HETATM   87  H   UNL     1       9.277   1.539  -0.749  1.00  0.00           H  
HETATM   88  H   UNL     1      11.896   0.639   0.178  1.00  0.00           H  
HETATM   89  H   UNL     1       9.867   3.098  -1.726  1.00  0.00           H  
HETATM   90  H   UNL     1      10.246   5.525  -1.616  1.00  0.00           H  
HETATM   91  H   UNL     1      12.693  10.261  -0.969  1.00  0.00           H  
HETATM   92  H   UNL     1      13.694   6.658   2.332  1.00  0.00           H  
HETATM   93  H   UNL     1      12.270   7.579   2.872  1.00  0.00           H  
HETATM   94  H   UNL     1      12.064   5.968   2.144  1.00  0.00           H  
HETATM   95  H   UNL     1      13.764   4.851   0.741  1.00  0.00           H  
HETATM   96  H   UNL     1      13.362   2.427   0.627  1.00  0.00           H  
HETATM   97  H   UNL     1      11.320   1.092  -2.785  1.00  0.00           H  
HETATM   98  H   UNL     1      12.925   0.802  -2.072  1.00  0.00           H  
HETATM   99  H   UNL     1      11.686  -0.476  -2.027  1.00  0.00           H  
HETATM  100  H   UNL     1       7.544  -0.518  -0.877  1.00  0.00           H  
HETATM  101  H   UNL     1       8.017   1.263   1.207  1.00  0.00           H  
HETATM  102  H   UNL     1       6.387   0.645   0.786  1.00  0.00           H  
HETATM  103  H   UNL     1       8.331  -0.400   2.923  1.00  0.00           H  
HETATM  104  H   UNL     1       6.262  -0.467   4.115  1.00  0.00           H  
HETATM  105  H   UNL     1       7.432  -2.615   2.605  1.00  0.00           H  
HETATM  106  H   UNL     1       6.007  -1.998   1.716  1.00  0.00           H  
HETATM  107  H   UNL     1       7.690  -4.314   1.725  1.00  0.00           H  
HETATM  108  H   UNL     1       9.287  -5.493  -0.592  1.00  0.00           H  
HETATM  109  H   UNL     1      10.041  -4.952   2.315  1.00  0.00           H  
HETATM  110  H   UNL     1      11.109  -5.591   1.042  1.00  0.00           H  
HETATM  111  H   UNL     1      10.504  -3.920   0.940  1.00  0.00           H  
HETATM  112  H   UNL     1       7.755  -7.156   0.426  1.00  0.00           H  
HETATM  113  H   UNL     1       9.448  -7.508   0.845  1.00  0.00           H  
HETATM  114  H   UNL     1       8.377  -6.740   2.041  1.00  0.00           H  
HETATM  115  H   UNL     1       5.204  -5.181   1.622  1.00  0.00           H  
HETATM  116  H   UNL     1       2.745  -5.767  -2.340  1.00  0.00           H  
HETATM  117  H   UNL     1       3.304  -7.430  -2.036  1.00  0.00           H  
HETATM  118  H   UNL     1       0.865  -7.431  -2.244  1.00  0.00           H  
HETATM  119  H   UNL     1       1.305  -7.779  -0.555  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.378  -6.687  -1.201  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.657  -7.023   0.391  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.495  -5.358   0.562  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.930  -4.646   1.024  1.00  0.00           H  
HETATM  124  H   UNL     1       1.382  -4.609  -2.350  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.202  -5.295  -2.782  1.00  0.00           H  
HETATM  126  H   UNL     1       0.305  -3.182  -0.637  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.409  -2.889  -2.241  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.292  -4.388  -1.697  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.834  -2.308  -2.306  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.345  -0.219  -0.374  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.419   0.021  -1.819  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.224  -1.987  -1.868  1.00  0.00           H  
HETATM  133  H   UNL     1      -4.905  -3.069  -0.444  1.00  0.00           H  
HETATM  134  H   UNL     1      -4.176  -1.178   0.943  1.00  0.00           H  
HETATM  135  H   UNL     1      -6.576  -0.989   3.930  1.00  0.00           H  
HETATM  136  H   UNL     1      -8.457   0.591   3.974  1.00  0.00           H  
HETATM  137  H   UNL     1      -7.493   1.681  -0.061  1.00  0.00           H  
HETATM  138  H   UNL     1     -11.102   4.009   0.750  1.00  0.00           H  
HETATM  139  H   UNL     1     -11.875   2.532   0.099  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.668   3.367   2.887  1.00  0.00           H  
HETATM  141  H   UNL     1     -12.442   1.890   2.239  1.00  0.00           H  
HETATM  142  H   UNL     1     -10.169   1.743   3.813  1.00  0.00           H  
HETATM  143  H   UNL     1     -12.663   1.198   3.792  1.00  0.00           H  
HETATM  144  H   UNL     1     -12.448  -0.380   3.257  1.00  0.00           H  
HETATM  145  H   UNL     1     -12.815   1.359  -3.063  1.00  0.00           H  
HETATM  146  H   UNL     1     -17.056   2.284  -0.672  1.00  0.00           H  
CONECT    1   14   12   78   79                                       
CONECT    2   11   76   76   80                                       
CONECT    3   12   74   81   82                                       
CONECT    4   12    6    6    8                                       
CONECT    5    9    9   77   10                                       
CONECT    6    4    4    7   83                                       
CONECT    7    6   13   13    9                                       
CONECT    8   15   15    4   75                                       
CONECT    9    7    5    5   76                                       
CONECT   10    5   11   11   84                                       
CONECT   11   10   10    2   85                                       
CONECT   12    1    3    4                                            
CONECT   13    7    7   15                                            
CONECT   14   72   71    1   86                                       
CONECT   15   13    8    8                                            
CONECT   16   17   17                                                 
CONECT   17   33   16   16   18                                       
CONECT   18   17   19   87                                            
CONECT   19   18   32   20   88                                       
CONECT   20   19   31   31   21                                       
CONECT   21   22   22   20   89                                       
CONECT   22   23   21   21   90                                       
CONECT   23   30   30   22   24                                       
CONECT   24   23   28   28   25                                       
CONECT   25   26   24                                                 
CONECT   26   27   27   25   91                                       
CONECT   27   28   26   26                                            
CONECT   28   24   24   29   27                                       
CONECT   29   28   92   93   94                                       
CONECT   30   31   23   23   95                                       
CONECT   31   20   20   30   96                                       
CONECT   32   19   97   98   99                                       
CONECT   33   34   38   17  100                                       
CONECT   34   35   33  101  102                                       
CONECT   35   37   36   34  103                                       
CONECT   36   35  104                                                 
CONECT   37   38   35  105  106                                       
CONECT   38   39   37   33                                            
CONECT   39   41   40   40   38                                       
CONECT   40   39   39                                                 
CONECT   41   45   42   39  107                                       
CONECT   42   41   44   43  108                                       
CONECT   43   42  109  110  111                                       
CONECT   44   42  112  113  114                                       
CONECT   45   46   48   48   41                                       
CONECT   46   47   45                                                 
CONECT   47   49   49   46                                            
CONECT   48   45   45   49  115                                       
CONECT   49   50   47   47   48                                       
CONECT   50   51   49                                                 
CONECT   51   52   50  116  117                                       
CONECT   52   53   51  118  119                                       
CONECT   53   54   52   56                                            
CONECT   54   55   53  120  121                                       
CONECT   55   58   54  122  123                                       
CONECT   56   53   57  124  125                                       
CONECT   57   56   58  126  127                                       
CONECT   58   59   55   57  128                                       
CONECT   59   60   58                                                 
CONECT   60   61   62   59  129                                       
CONECT   61   63   60  130  131                                       
CONECT   62   60   63  132  133                                       
CONECT   63   64   61   62  134                                       
CONECT   64   65   63                                                 
CONECT   65   66   64   69   69                                       
CONECT   66   67   67   65                                            
CONECT   67   68   66   66  135                                       
CONECT   68   70   70   67  136                                       
CONECT   69   65   65   70  137                                       
CONECT   70   71   68   68   69                                       
CONECT   71   74   14   70                                            
CONECT   72   73   14  138  139                                       
CONECT   73   74   72  140  141                                       
CONECT   74   71   73    3  142                                       
CONECT   75    8  143  144                                            
CONECT   76    2    2    9  145                                       
CONECT   77    5  146                                                 
CONECT   78    1                                                      
CONECT   79    1                                                      
CONECT   80    2                                                      
CONECT   81    3                                                      
CONECT   82    3                                                      
CONECT   83    6                                                      
CONECT   84   10                                                      
CONECT   85   11                                                      
CONECT   86   14                                                      
CONECT   87   18                                                      
CONECT   88   19                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   26                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
CONECT  114   44                                                      
CONECT  115   48                                                      
CONECT  116   51                                                      
CONECT  117   51                                                      
CONECT  118   52                                                      
CONECT  119   52                                                      
CONECT  120   54                                                      
CONECT  121   54                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   56                                                      
CONECT  126   57                                                      
CONECT  127   57                                                      
CONECT  128   58                                                      
CONECT  129   60                                                      
CONECT  130   61                                                      
CONECT  131   61                                                      
CONECT  132   62                                                      
CONECT  133   62                                                      
CONECT  134   63                                                      
CONECT  135   67                                                      
CONECT  136   68                                                      
CONECT  137   69                                                      
CONECT  138   72                                                      
CONECT  139   72                                                      
CONECT  140   73                                                      
CONECT  141   73                                                      
CONECT  142   74                                                      
CONECT  143   75                                                      
CONECT  144   75                                                      
CONECT  145   76                                                      
CONECT  146   77                                                      
MASTER        0    0    0    0    0    0    0    0  146    0  146    0
END
