COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.468  -4.463   0.631  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.895  -1.507  -0.374  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.049  -3.740  -0.842  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.798  -0.450  -2.383  1.00  0.00           N  
HETATM    5  C   UNL     1      -8.630  -1.275  -0.939  1.00  0.00           C  
HETATM    6  O   UNL     1       2.854  -3.346   2.447  1.00  0.00           O  
HETATM    7  C   UNL     1       3.150  -3.320   1.271  1.00  0.00           C  
HETATM    8  C   UNL     1       3.456  -5.736   1.356  1.00  0.00           C  
HETATM    9  C   UNL     1       3.845  -6.869   0.404  1.00  0.00           C  
HETATM   10  C   UNL     1       3.833  -8.198   1.161  1.00  0.00           C  
HETATM   11  O   UNL     1       4.196  -9.257   0.272  1.00  0.00           O  
HETATM   12  C   UNL     1       4.215 -10.548   0.883  1.00  0.00           C  
HETATM   13  C   UNL     1       4.615 -11.598  -0.156  1.00  0.00           C  
HETATM   14  O   UNL     1       5.958 -11.361  -0.580  1.00  0.00           O  
HETATM   15  C   UNL     1       6.433 -12.291  -1.556  1.00  0.00           C  
HETATM   16  C   UNL     1       7.873 -11.942  -1.935  1.00  0.00           C  
HETATM   17  O   UNL     1       8.721 -12.121  -0.798  1.00  0.00           O  
HETATM   18  C   UNL     1      10.096 -11.821  -1.046  1.00  0.00           C  
HETATM   19  C   UNL     1      10.906 -12.047   0.233  1.00  0.00           C  
HETATM   20  C   UNL     1      12.378 -11.726  -0.032  1.00  0.00           C  
HETATM   21  C   UNL     1       3.163  -2.011   0.525  1.00  0.00           C  
HETATM   22  C   UNL     1       2.767  -0.879   1.475  1.00  0.00           C  
HETATM   23  C   UNL     1       2.780   0.451   0.718  1.00  0.00           C  
HETATM   24  C   UNL     1       2.384   1.582   1.668  1.00  0.00           C  
HETATM   25  N   UNL     1       2.384   2.854   0.940  1.00  0.00           N  
HETATM   26  C   UNL     1       3.463   3.737   0.907  1.00  0.00           C  
HETATM   27  C   UNL     1       3.160   4.842   0.141  1.00  0.00           C  
HETATM   28  C   UNL     1       4.101   5.865  -0.031  1.00  0.00           C  
HETATM   29  C   UNL     1       3.813   7.001  -0.808  1.00  0.00           C  
HETATM   30  C   UNL     1       4.753   7.975  -0.952  1.00  0.00           C  
HETATM   31  S   UNL     1       4.387   9.397  -1.926  1.00  0.00           S  
HETATM   32  O   UNL     1       3.775  10.435  -0.997  1.00  0.00           O  
HETATM   33  O   UNL     1       5.636   9.925  -2.351  1.00  0.00           O  
HETATM   34  O   UNL     1       3.359   9.011  -2.829  1.00  0.00           O  
HETATM   35  C   UNL     1       6.000   7.864  -0.340  1.00  0.00           C  
HETATM   36  C   UNL     1       6.315   6.779   0.419  1.00  0.00           C  
HETATM   37  S   UNL     1       7.898   6.662   1.183  1.00  0.00           S  
HETATM   38  O   UNL     1       8.236   5.282   1.197  1.00  0.00           O  
HETATM   39  O   UNL     1       8.712   7.655   0.573  1.00  0.00           O  
HETATM   40  O   UNL     1       7.729   7.078   2.637  1.00  0.00           O  
HETATM   41  C   UNL     1       5.370   5.754   0.591  1.00  0.00           C  
HETATM   42  C   UNL     1       5.658   4.618   1.367  1.00  0.00           C  
HETATM   43  C   UNL     1       4.727   3.642   1.518  1.00  0.00           C  
HETATM   44  C   UNL     1       1.750   4.657  -0.372  1.00  0.00           C  
HETATM   45  C   UNL     1       0.843   5.779   0.138  1.00  0.00           C  
HETATM   46  C   UNL     1       1.738   4.613  -1.901  1.00  0.00           C  
HETATM   47  C   UNL     1       1.321   3.322   0.198  1.00  0.00           C  
HETATM   48  C   UNL     1       0.138   2.715   0.019  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.051   1.330   0.463  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.260   0.776   0.420  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.406   1.517  -0.219  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.928   0.724  -1.390  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.161   0.255  -1.372  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.163   0.378  -0.244  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.472   1.849   0.039  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.637  -0.312   1.017  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.178  -0.794  -3.665  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.439   0.326  -4.674  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.102  -0.791  -2.025  1.00  0.00           C  
HETATM   60  C   UNL     1      -6.394  -0.331  -0.760  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.655  -0.563  -0.195  1.00  0.00           C  
HETATM   62  C   UNL     1      -7.080  -1.497  -2.750  1.00  0.00           C  
HETATM   63  C   UNL     1      -8.309  -1.735  -2.228  1.00  0.00           C  
HETATM   64  S   UNL     1     -11.121  -2.390  -1.280  1.00  0.00           S  
HETATM   65  O   UNL     1     -12.477  -1.864  -0.832  1.00  0.00           O  
HETATM   66  O   UNL     1     -10.970  -2.005  -2.639  1.00  0.00           O  
HETATM   67  C   UNL     1     -10.166  -1.051   0.880  1.00  0.00           C  
HETATM   68  C   UNL     1      -9.209  -0.351   1.612  1.00  0.00           C  
HETATM   69  C   UNL     1      -7.975  -0.102   1.094  1.00  0.00           C  
HETATM   70  S   UNL     1      -9.603   0.222   3.231  1.00  0.00           S  
HETATM   71  O   UNL     1     -11.019   0.328   3.286  1.00  0.00           O  
HETATM   72  O   UNL     1      -9.217  -0.882   4.205  1.00  0.00           O  
HETATM   73  O   UNL     1      -8.731   1.312   3.494  1.00  0.00           O  
HETATM   74  H   UNL     1       3.701  -4.444  -0.310  1.00  0.00           H  
HETATM   75  H   UNL     1       4.170  -5.692   2.179  1.00  0.00           H  
HETATM   76  H   UNL     1       2.457  -5.920   1.751  1.00  0.00           H  
HETATM   77  H   UNL     1       3.132  -6.913  -0.419  1.00  0.00           H  
HETATM   78  H   UNL     1       4.845  -6.685   0.010  1.00  0.00           H  
HETATM   79  H   UNL     1       4.546  -8.155   1.985  1.00  0.00           H  
HETATM   80  H   UNL     1       2.833  -8.382   1.556  1.00  0.00           H  
HETATM   81  H   UNL     1       4.936 -10.553   1.701  1.00  0.00           H  
HETATM   82  H   UNL     1       3.224 -10.781   1.272  1.00  0.00           H  
HETATM   83  H   UNL     1       4.543 -12.592   0.286  1.00  0.00           H  
HETATM   84  H   UNL     1       3.946 -11.533  -1.014  1.00  0.00           H  
HETATM   85  H   UNL     1       6.399 -13.299  -1.143  1.00  0.00           H  
HETATM   86  H   UNL     1       5.801 -12.240  -2.443  1.00  0.00           H  
HETATM   87  H   UNL     1       8.205 -12.595  -2.742  1.00  0.00           H  
HETATM   88  H   UNL     1       7.922 -10.904  -2.264  1.00  0.00           H  
HETATM   89  H   UNL     1      10.474 -12.472  -1.835  1.00  0.00           H  
HETATM   90  H   UNL     1      10.191 -10.781  -1.357  1.00  0.00           H  
HETATM   91  H   UNL     1      10.528 -11.396   1.021  1.00  0.00           H  
HETATM   92  H   UNL     1      10.811 -13.087   0.543  1.00  0.00           H  
HETATM   93  H   UNL     1      12.955 -11.886   0.878  1.00  0.00           H  
HETATM   94  H   UNL     1      12.756 -12.376  -0.821  1.00  0.00           H  
HETATM   95  H   UNL     1      12.472 -10.685  -0.343  1.00  0.00           H  
HETATM   96  H   UNL     1       4.163  -1.825   0.134  1.00  0.00           H  
HETATM   97  H   UNL     1       2.453  -2.057  -0.301  1.00  0.00           H  
HETATM   98  H   UNL     1       1.767  -1.065   1.866  1.00  0.00           H  
HETATM   99  H   UNL     1       3.477  -0.833   2.301  1.00  0.00           H  
HETATM  100  H   UNL     1       3.780   0.637   0.327  1.00  0.00           H  
HETATM  101  H   UNL     1       2.070   0.405  -0.108  1.00  0.00           H  
HETATM  102  H   UNL     1       1.387   1.391   2.066  1.00  0.00           H  
HETATM  103  H   UNL     1       3.099   1.634   2.489  1.00  0.00           H  
HETATM  104  H   UNL     1       2.851   7.101  -1.289  1.00  0.00           H  
HETATM  105  H   UNL     1       6.728   8.651  -0.471  1.00  0.00           H  
HETATM  106  H   UNL     1       6.621   4.521   1.845  1.00  0.00           H  
HETATM  107  H   UNL     1       4.961   2.774   2.117  1.00  0.00           H  
HETATM  108  H   UNL     1       1.223   6.739  -0.210  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.168   5.629  -0.241  1.00  0.00           H  
HETATM  110  H   UNL     1       0.828   5.767   1.228  1.00  0.00           H  
HETATM  111  H   UNL     1       2.353   3.782  -2.246  1.00  0.00           H  
HETATM  112  H   UNL     1       0.715   4.479  -2.253  1.00  0.00           H  
HETATM  113  H   UNL     1       2.138   5.548  -2.294  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.675   3.247  -0.453  1.00  0.00           H  
HETATM  115  H   UNL     1       0.792   0.759   0.825  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.421  -0.205   0.843  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.204   1.653   0.512  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.061   2.491  -0.565  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.292   0.539  -2.243  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.864   2.318  -0.863  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.214   1.918   0.836  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.560   2.360   0.347  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.783   0.243   1.405  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.425  -0.341   1.770  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.330  -1.329   0.773  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.103  -0.915  -3.528  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.604  -1.725  -4.037  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.013   1.258  -4.303  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.978   0.070  -5.628  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.514   0.448  -4.811  1.00  0.00           H  
HETATM  131  H   UNL     1      -6.848  -1.856  -3.742  1.00  0.00           H  
HETATM  132  H   UNL     1      -9.043  -2.279  -2.804  1.00  0.00           H  
HETATM  133  H   UNL     1     -11.138  -1.235   1.314  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.244   0.441   1.673  1.00  0.00           H  
HETATM  135  H   UNL     1       3.535  11.263  -1.435  1.00  0.00           H  
HETATM  136  H   UNL     1       8.547   7.049   3.152  1.00  0.00           H  
HETATM  137  H   UNL     1     -13.228  -2.286  -1.273  1.00  0.00           H  
HETATM  138  H   UNL     1      -9.393  -0.668   5.132  1.00  0.00           H  
CONECT    1    7    8   74                                            
CONECT    2    5    5   67   64                                       
CONECT    3   64   64                                                 
CONECT    4   53   57   59                                            
CONECT    5   61   63    2    2                                       
CONECT    6    7    7                                                 
CONECT    7    6    6   21    1                                       
CONECT    8    1    9   75   76                                       
CONECT    9    8   10   77   78                                       
CONECT   10    9   11   79   80                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   81   82                                       
CONECT   13   14   12   83   84                                       
CONECT   14   15   13                                                 
CONECT   15   16   14   85   86                                       
CONECT   16   17   15   87   88                                       
CONECT   17   18   16                                                 
CONECT   18   19   17   89   90                                       
CONECT   19   20   18   91   92                                       
CONECT   20   19   93   94   95                                       
CONECT   21   22    7   96   97                                       
CONECT   22   23   21   98   99                                       
CONECT   23   22   24  100  101                                       
CONECT   24   23   25  102  103                                       
CONECT   25   26   24   47                                            
CONECT   26   43   43   27   25                                       
CONECT   27   28   28   26   44                                       
CONECT   28   41   29   27   27                                       
CONECT   29   30   30   28  104                                       
CONECT   30   35   31   29   29                                       
CONECT   31   34   34   33   33                                       
CONECT   31   30   32                                                 
CONECT   32   31  135                                                 
CONECT   33   31   31                                                 
CONECT   34   31   31                                                 
CONECT   35   36   36   30  105                                       
CONECT   36   37   35   35   41                                       
CONECT   37   38   38   39   39                                       
CONECT   37   40   36                                                 
CONECT   38   37   37                                                 
CONECT   39   37   37                                                 
CONECT   40   37  136                                                 
CONECT   41   36   42   42   28                                       
CONECT   42   41   41   43  106                                       
CONECT   43   42   26   26  107                                       
CONECT   44   27   45   47   46                                       
CONECT   45   44  108  109  110                                       
CONECT   46   44  111  112  113                                       
CONECT   47   25   44   48   48                                       
CONECT   48   47   47   49  114                                       
CONECT   49   48   50   50  115                                       
CONECT   50   49   49   51  116                                       
CONECT   51   50   52  117  118                                       
CONECT   52   51   53   53  119                                       
CONECT   53   52   52   54    4                                       
CONECT   54   56   53   55   60                                       
CONECT   55   54  120  121  122                                       
CONECT   56   54  123  124  125                                       
CONECT   57    4   58  126  127                                       
CONECT   58   57  128  129  130                                       
CONECT   59    4   60   60   62                                       
CONECT   60   54   59   59   61                                       
CONECT   61   60   69   69    5                                       
CONECT   62   59   63   63  131                                       
CONECT   63   62   62    5  132                                       
CONECT   64    2    3    3   66                                       
CONECT   64   66   65                                                 
CONECT   65   64  137                                                 
CONECT   66   64   64                                                 
CONECT   67   68   68    2  133                                       
CONECT   68   69   70   67   67                                       
CONECT   69   61   61   68  134                                       
CONECT   70   71   71   73   73                                       
CONECT   70   68   72                                                 
CONECT   71   70   70                                                 
CONECT   72   70  138                                                 
CONECT   73   70   70                                                 
CONECT   74    1                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78    9                                                      
CONECT   79   10                                                      
CONECT   80   10                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   13                                                      
CONECT   85   15                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   18                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   20                                                      
CONECT   96   21                                                      
CONECT   97   21                                                      
CONECT   98   22                                                      
CONECT   99   22                                                      
CONECT  100   23                                                      
CONECT  101   23                                                      
CONECT  102   24                                                      
CONECT  103   24                                                      
CONECT  104   29                                                      
CONECT  105   35                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   48                                                      
CONECT  115   49                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
CONECT  119   52                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
CONECT  122   55                                                      
CONECT  123   56                                                      
CONECT  124   56                                                      
CONECT  125   56                                                      
CONECT  126   57                                                      
CONECT  127   57                                                      
CONECT  128   58                                                      
CONECT  129   58                                                      
CONECT  130   58                                                      
CONECT  131   62                                                      
CONECT  132   63                                                      
CONECT  133   67                                                      
CONECT  134   69                                                      
CONECT  135   32                                                      
CONECT  136   40                                                      
CONECT  137   65                                                      
CONECT  138   72                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
