COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.153  -5.410  -0.818  1.00  0.00           O  
HETATM    2  C   UNL     1       5.152  -4.545  -1.053  1.00  0.00           C  
HETATM    3  O   UNL     1       6.003  -4.812  -1.869  1.00  0.00           O  
HETATM    4  C   UNL     1       5.214  -3.242  -0.299  1.00  0.00           C  
HETATM    5  C   UNL     1       6.440  -2.448  -0.752  1.00  0.00           C  
HETATM    6  C   UNL     1       6.503  -1.124   0.014  1.00  0.00           C  
HETATM    7  C   UNL     1       7.774  -0.398  -0.341  1.00  0.00           C  
HETATM    8  O   UNL     1       7.723   0.703  -0.846  1.00  0.00           O  
HETATM    9  N   UNL     1       8.969  -0.972  -0.097  1.00  0.00           N  
HETATM   10  C   UNL     1      10.205  -0.266  -0.442  1.00  0.00           C  
HETATM   11  C   UNL     1      11.409  -1.132  -0.065  1.00  0.00           C  
HETATM   12  C   UNL     1      12.700  -0.394  -0.425  1.00  0.00           C  
HETATM   13  C   UNL     1      13.904  -1.260  -0.048  1.00  0.00           C  
HETATM   14  C   UNL     1      15.176  -0.533  -0.403  1.00  0.00           C  
HETATM   15  N   UNL     1      16.371  -1.108  -0.159  1.00  0.00           N  
HETATM   16  O   UNL     1      15.125   0.568  -0.908  1.00  0.00           O  
HETATM   17  N   UNL     1       5.350  -0.296  -0.349  1.00  0.00           N  
HETATM   18  C   UNL     1       5.138   0.094  -1.745  1.00  0.00           C  
HETATM   19  C   UNL     1       4.484   0.107   0.603  1.00  0.00           C  
HETATM   20  O   UNL     1       4.703  -0.145   1.768  1.00  0.00           O  
HETATM   21  C   UNL     1       3.243   0.871   0.217  1.00  0.00           C  
HETATM   22  C   UNL     1       3.594   2.347   0.019  1.00  0.00           C  
HETATM   23  C   UNL     1       4.082   2.937   1.344  1.00  0.00           C  
HETATM   24  C   UNL     1       5.534   2.519   1.585  1.00  0.00           C  
HETATM   25  C   UNL     1       3.993   4.464   1.285  1.00  0.00           C  
HETATM   26  N   UNL     1       2.243   0.745   1.280  1.00  0.00           N  
HETATM   27  C   UNL     1       0.930   0.814   0.981  1.00  0.00           C  
HETATM   28  O   UNL     1       0.575   0.888  -0.176  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.096   0.798   2.085  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.424  -0.660   2.495  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.374   1.355   1.606  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.476   0.598   2.217  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.843  -0.500   3.102  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.599  -1.755   2.993  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.509   2.386   0.749  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.531   3.002   0.382  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.876   2.775   0.248  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.751   3.967  -0.703  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.139   4.362  -1.212  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.004   5.454  -2.241  1.00  0.00           C  
HETATM   41  O   UNL     1      -3.297   5.238  -3.361  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.533   6.525  -2.058  1.00  0.00           O  
HETATM   43  N   UNL     1      -4.951   4.843  -0.092  1.00  0.00           N  
HETATM   44  S   UNL     1      -6.577   4.534  -0.056  1.00  0.00           S  
HETATM   45  O   UNL     1      -7.065   5.094   1.156  1.00  0.00           O  
HETATM   46  O   UNL     1      -7.082   4.891  -1.335  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.773   2.789   0.088  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.853   2.008  -1.051  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.842   2.203   1.338  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.996   0.835   1.454  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.081   0.048   0.312  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.007   0.640  -0.942  1.00  0.00           C  
HETATM   53  N   UNL     1      -7.236  -1.337   0.426  1.00  0.00           N  
HETATM   54  C   UNL     1      -7.923  -2.017  -0.513  1.00  0.00           C  
HETATM   55  O   UNL     1      -8.483  -1.418  -1.410  1.00  0.00           O  
HETATM   56  C   UNL     1      -7.996  -3.494  -0.451  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.358  -4.182   0.582  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.707  -4.199  -1.424  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.775  -5.574  -1.366  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.134  -6.262  -0.336  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.427  -5.557   0.640  1.00  0.00           C  
HETATM   62  C   UNL     1      -8.208  -7.739  -0.273  1.00  0.00           C  
HETATM   63  O   UNL     1      -8.828  -8.352  -1.120  1.00  0.00           O  
HETATM   64  N   UNL     1      -7.588  -8.403   0.722  1.00  0.00           N  
HETATM   65  H   UNL     1       4.156  -6.233  -1.326  1.00  0.00           H  
HETATM   66  H   UNL     1       4.312  -2.663  -0.500  1.00  0.00           H  
HETATM   67  H   UNL     1       5.285  -3.443   0.770  1.00  0.00           H  
HETATM   68  H   UNL     1       7.342  -3.026  -0.551  1.00  0.00           H  
HETATM   69  H   UNL     1       6.369  -2.246  -1.821  1.00  0.00           H  
HETATM   70  H   UNL     1       6.484  -1.323   1.085  1.00  0.00           H  
HETATM   71  H   UNL     1       9.010  -1.853   0.306  1.00  0.00           H  
HETATM   72  H   UNL     1      10.223  -0.067  -1.514  1.00  0.00           H  
HETATM   73  H   UNL     1      10.250   0.676   0.104  1.00  0.00           H  
HETATM   74  H   UNL     1      11.392  -1.331   1.006  1.00  0.00           H  
HETATM   75  H   UNL     1      11.365  -2.074  -0.611  1.00  0.00           H  
HETATM   76  H   UNL     1      12.718  -0.194  -1.497  1.00  0.00           H  
HETATM   77  H   UNL     1      12.745   0.548   0.121  1.00  0.00           H  
HETATM   78  H   UNL     1      13.887  -1.459   1.023  1.00  0.00           H  
HETATM   79  H   UNL     1      13.860  -2.202  -0.594  1.00  0.00           H  
HETATM   80  H   UNL     1      16.412  -1.989   0.244  1.00  0.00           H  
HETATM   81  H   UNL     1      17.189  -0.640  -0.388  1.00  0.00           H  
HETATM   82  H   UNL     1       4.585  -0.691  -2.261  1.00  0.00           H  
HETATM   83  H   UNL     1       4.569   1.023  -1.780  1.00  0.00           H  
HETATM   84  H   UNL     1       6.102   0.240  -2.232  1.00  0.00           H  
HETATM   85  H   UNL     1       2.841   0.465  -0.711  1.00  0.00           H  
HETATM   86  H   UNL     1       4.381   2.436  -0.730  1.00  0.00           H  
HETATM   87  H   UNL     1       2.710   2.888  -0.317  1.00  0.00           H  
HETATM   88  H   UNL     1       3.457   2.568   2.158  1.00  0.00           H  
HETATM   89  H   UNL     1       5.892   2.967   2.511  1.00  0.00           H  
HETATM   90  H   UNL     1       5.591   1.433   1.660  1.00  0.00           H  
HETATM   91  H   UNL     1       6.152   2.859   0.754  1.00  0.00           H  
HETATM   92  H   UNL     1       2.959   4.761   1.113  1.00  0.00           H  
HETATM   93  H   UNL     1       4.341   4.884   2.228  1.00  0.00           H  
HETATM   94  H   UNL     1       4.618   4.832   0.471  1.00  0.00           H  
HETATM   95  H   UNL     1       2.525   0.612   2.198  1.00  0.00           H  
HETATM   96  H   UNL     1       0.265   1.362   2.945  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.442  -1.316   1.625  1.00  0.00           H  
HETATM   98  H   UNL     1       0.282  -1.024   3.242  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.086   1.262   2.830  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.090   0.144   1.439  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.784  -0.173   4.140  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.549  -1.634   3.312  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.577  -2.110   2.049  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.322   1.933  -0.282  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.509   3.049   1.092  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.305   4.809  -0.173  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.118   3.693  -1.547  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.620   3.494  -1.663  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.239   5.969  -3.992  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.536   5.343   0.629  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.794   2.468  -2.026  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.776   2.815   2.225  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.048   0.378   2.431  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.070   0.030  -1.832  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.850  -1.808   1.181  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.811  -3.636   1.337  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.204  -3.666  -2.221  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.326  -6.119  -2.119  1.00  0.00           H  
HETATM  119  H   UNL     1      -6.933  -6.089   1.439  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.094  -7.914   1.398  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.637  -9.371   0.763  1.00  0.00           H  
CONECT    1    2   65                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   66   67                                       
CONECT    5    4    6   68   69                                       
CONECT    6    5    7   17   70                                       
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   71                                            
CONECT   10    9   11   72   73                                       
CONECT   11   10   12   74   75                                       
CONECT   12   11   13   76   77                                       
CONECT   13   12   14   78   79                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14   80   81                                            
CONECT   16   14   14                                                 
CONECT   17   18    6   19                                            
CONECT   18   17   82   83   84                                       
CONECT   19   17   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   26   22   85                                       
CONECT   22   21   23   86   87                                       
CONECT   23   25   22   24   88                                       
CONECT   24   23   89   90   91                                       
CONECT   25   23   92   93   94                                       
CONECT   26   27   21   95                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   31   96                                       
CONECT   30   33   29   97   98                                       
CONECT   31   32   29   35                                            
CONECT   32   33   31   99  100                                       
CONECT   33   34   32   30  101                                       
CONECT   34   33  102  103                                            
CONECT   35   37   31   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   38  104  105                                       
CONECT   38   37   39  106  107                                       
CONECT   39   43   38   40  108                                       
CONECT   40   42   42   39   41                                       
CONECT   41   40  109                                                 
CONECT   42   40   40                                                 
CONECT   43   44   39  110                                            
CONECT   44   45   45   43   46                                       
CONECT   44   46   47                                                 
CONECT   45   44   44                                                 
CONECT   46   44   44                                                 
CONECT   47   44   48   48   49                                       
CONECT   48   47   47   52  111                                       
CONECT   49   47   50   50  112                                       
CONECT   50   49   49   51  113                                       
CONECT   51   52   52   50   53                                       
CONECT   52   48   51   51  114                                       
CONECT   53   51   54  115                                            
CONECT   54   53   56   55   55                                       
CONECT   55   54   54                                                 
CONECT   56   57   54   58   58                                       
CONECT   57   61   61   56  116                                       
CONECT   58   56   56   59  117                                       
CONECT   59   60   60   58  118                                       
CONECT   60   61   62   59   59                                       
CONECT   61   57   57   60  119                                       
CONECT   62   60   63   63   64                                       
CONECT   63   62   62                                                 
CONECT   64   62  120  121                                            
CONECT   65    1                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   15                                                      
CONECT   81   15                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   41                                                      
CONECT  110   43                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   57                                                      
CONECT  117   58                                                      
CONECT  118   59                                                      
CONECT  119   61                                                      
CONECT  120   64                                                      
CONECT  121   64                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
