COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.260  -2.345  -0.338  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.785  -2.405   0.971  1.00  0.00           C  
HETATM    3  C   UNL     1       0.369  -5.575  -0.227  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.780  -5.941  -1.217  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.821  -1.388  -1.200  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.869  -1.508   1.425  1.00  0.00           C  
HETATM    7  C   UNL     1       0.018  -4.267   0.052  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.135  -4.637  -0.928  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.445   0.439   0.997  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.874  -0.444  -0.767  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.234  -3.798  -0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.530  -6.412  -0.861  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.479   1.455  -1.174  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.391  -0.505   0.564  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.005   1.396   0.135  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.492  -2.360   0.387  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.698  -0.899   0.794  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.515  -3.024   1.360  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.399  -0.912   1.770  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.343  -0.185   0.809  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.617  -2.373   0.005  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.532   1.260   1.273  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.397   0.558  -1.628  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.235  -2.305   1.337  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.322   1.993   0.281  1.00  0.00           N  
HETATM   26  O   UNL     1      -6.018   3.743  -0.107  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.880   2.581   2.102  1.00  0.00           O  
HETATM   28  S   UNL     1      -5.818   2.578   0.682  1.00  0.00           S  
HETATM   29  H   UNL     1     -10.985  -3.072  -0.675  1.00  0.00           H  
HETATM   30  H   UNL     1     -10.150  -3.175   1.635  1.00  0.00           H  
HETATM   31  H   UNL     1       1.347  -5.942   0.048  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.484  -6.596  -1.709  1.00  0.00           H  
HETATM   33  H   UNL     1     -10.198  -1.354  -2.212  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.510  -1.566   2.442  1.00  0.00           H  
HETATM   35  H   UNL     1       0.722  -3.612   0.543  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.112  -4.269  -1.206  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.068   0.405   2.009  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.252  -7.431  -1.087  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.114   2.225  -1.838  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.447  -2.884   0.416  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.084  -2.402  -0.623  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.359  -0.410   0.079  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.142  -0.857   1.789  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.930  -2.993   2.368  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.355  -4.060   1.064  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.429  -0.415   1.772  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.820  -0.892   2.776  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.917  -0.193  -0.194  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.727  -1.745  -0.014  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.328  -2.020  -0.743  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.052   1.269   2.231  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.557   1.736   1.385  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.201   1.340  -1.367  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.613   2.347  -1.766  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.756   0.617  -2.645  1.00  0.00           H  
HETATM   56  C   UNL     1      -3.789   2.207  -1.067  1.00  0.00           C  
HETATM   57  C   UNL     1      -2.900   3.453  -1.071  1.00  0.00           C  
HETATM   58  O   UNL     1      -1.757   3.225  -0.244  1.00  0.00           O  
HETATM   59  C   UNL     1       0.323   3.979   0.729  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.857   4.333  -0.179  1.00  0.00           C  
HETATM   61  O   UNL     1       1.074   2.915   0.141  1.00  0.00           O  
HETATM   62  C   UNL     1       2.931   1.369   0.191  1.00  0.00           C  
HETATM   63  C   UNL     1       2.205   2.506   0.913  1.00  0.00           C  
HETATM   64  N   UNL     1       3.485   1.867  -1.074  1.00  0.00           N  
HETATM   65  O   UNL     1       3.344   0.279  -2.823  1.00  0.00           O  
HETATM   66  C   UNL     1       6.279   0.243  -3.031  1.00  0.00           C  
HETATM   67  C   UNL     1       4.190   0.800  -1.796  1.00  0.00           C  
HETATM   68  C   UNL     1       5.465   1.366  -2.425  1.00  0.00           C  
HETATM   69  O   UNL     1       6.433   0.161  -4.226  1.00  0.00           O  
HETATM   70  C   UNL     1       6.896  -0.768  -2.095  1.00  0.00           C  
HETATM   71  C   UNL     1       6.793   1.007  -0.328  1.00  0.00           C  
HETATM   72  C   UNL     1       7.573   1.746   0.766  1.00  0.00           C  
HETATM   73  C   UNL     1       8.005   0.760   1.853  1.00  0.00           C  
HETATM   74  C   UNL     1       8.792  -0.352   1.193  1.00  0.00           C  
HETATM   75  C   UNL     1       8.155  -1.067   0.022  1.00  0.00           C  
HETATM   76  C   UNL     1       7.688  -0.029  -1.007  1.00  0.00           C  
HETATM   77  C   UNL     1       6.317   2.041  -1.347  1.00  0.00           C  
HETATM   78  N   UNL     1       9.955  -0.678   1.615  1.00  0.00           N1+
HETATM   79  C   UNL     1      10.440  -0.163   2.898  1.00  0.00           C  
HETATM   80  C   UNL     1      10.802  -1.567   0.815  1.00  0.00           C  
HETATM   81  C   UNL     1      11.026  -2.877   1.573  1.00  0.00           C  
HETATM   82  C   UNL     1      11.669   0.717   2.663  1.00  0.00           C  
HETATM   83  H   UNL     1      -0.490   4.562  -1.179  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.378   5.201   0.225  1.00  0.00           H  
HETATM   85  H   UNL     1       2.884   3.349   1.038  1.00  0.00           H  
HETATM   86  H   UNL     1       1.870   2.161   1.891  1.00  0.00           H  
HETATM   87  H   UNL     1       2.763   2.276  -1.649  1.00  0.00           H  
HETATM   88  H   UNL     1       3.132   0.917  -3.519  1.00  0.00           H  
HETATM   89  H   UNL     1       5.205   2.091  -3.196  1.00  0.00           H  
HETATM   90  H   UNL     1       8.455   2.213   0.329  1.00  0.00           H  
HETATM   91  H   UNL     1       8.632   1.270   2.584  1.00  0.00           H  
HETATM   92  H   UNL     1       7.126   0.346   2.346  1.00  0.00           H  
HETATM   93  H   UNL     1       7.185   2.509  -1.812  1.00  0.00           H  
HETATM   94  H   UNL     1      10.312  -1.776  -0.136  1.00  0.00           H  
HETATM   95  H   UNL     1      11.762  -1.085   0.631  1.00  0.00           H  
HETATM   96  H   UNL     1      11.515  -2.667   2.524  1.00  0.00           H  
HETATM   97  H   UNL     1      10.066  -3.359   1.757  1.00  0.00           H  
HETATM   98  H   UNL     1      12.453   0.127   2.188  1.00  0.00           H  
HETATM   99  H   UNL     1      11.399   1.551   2.015  1.00  0.00           H  
HETATM  100  H   UNL     1      12.029   1.100   3.617  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.575   3.664  -2.090  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.464   4.303  -0.686  1.00  0.00           H  
HETATM  103  H   UNL     1       0.963   4.853   0.850  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.051   3.664   1.704  1.00  0.00           H  
HETATM  105  H   UNL     1       3.739   0.997   0.821  1.00  0.00           H  
HETATM  106  H   UNL     1       2.228   0.561  -0.013  1.00  0.00           H  
HETATM  107  H   UNL     1       4.451   0.002  -1.101  1.00  0.00           H  
HETATM  108  H   UNL     1       6.110  -1.363  -1.631  1.00  0.00           H  
HETATM  109  H   UNL     1       7.566  -1.421  -2.654  1.00  0.00           H  
HETATM  110  H   UNL     1       5.931   0.507   0.113  1.00  0.00           H  
HETATM  111  H   UNL     1       6.938   2.515   1.206  1.00  0.00           H  
HETATM  112  H   UNL     1       8.886  -1.731  -0.440  1.00  0.00           H  
HETATM  113  H   UNL     1       7.302  -1.650   0.371  1.00  0.00           H  
HETATM  114  H   UNL     1       8.554   0.466  -1.447  1.00  0.00           H  
HETATM  115  H   UNL     1       5.724   2.803  -0.841  1.00  0.00           H  
HETATM  116  H   UNL     1       9.655   0.427   3.372  1.00  0.00           H  
HETATM  117  H   UNL     1      10.709  -0.998   3.546  1.00  0.00           H  
HETATM  118  H   UNL     1      11.656  -3.538   0.978  1.00  0.00           H  
CONECT    1    5    5    2   29                                       
CONECT    2    1    6    6   30                                       
CONECT    3   12   12    7   31                                       
CONECT    4    8    8   12   32                                       
CONECT    5    1    1   10   33                                       
CONECT    6    2    2   14   34                                       
CONECT    7   11   11    3   35                                       
CONECT    8    4    4   11   36                                       
CONECT    9   14   14   15   37                                       
CONECT   10    5   23   23   14                                       
CONECT   11    8   21    7    7                                       
CONECT   12    4    3    3   38                                       
CONECT   13   23   15   15   39                                       
CONECT   14   10    6    9    9                                       
CONECT   15   13   13    9   28                                       
CONECT   16   18   17   40   41                                       
CONECT   17   16   20   42   43                                       
CONECT   18   16   24   44   45                                       
CONECT   19   20   24   46   47                                       
CONECT   20   17   22   19   48                                       
CONECT   21   24   11   49   50                                       
CONECT   22   25   20   51   52                                       
CONECT   23   10   10   13   55                                       
CONECT   24   18   19   21                                            
CONECT   25   28   56   22                                            
CONECT   26   28   28                                                 
CONECT   27   28   28                                                 
CONECT   28   15   25   27   27                                       
CONECT   28   26   26                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   56                                                      
CONECT   54   56                                                      
CONECT   55   23                                                      
CONECT   56   25   53   54   57                                       
CONECT   57   56   58  101  102                                       
CONECT   58   57   60                                                 
CONECT   59   60   61  103  104                                       
CONECT   60   59   58   83   84                                       
CONECT   61   59   63                                                 
CONECT   62   63   64  105  106                                       
CONECT   63   62   61   85   86                                       
CONECT   64   62   67   87                                            
CONECT   65   67   88                                                 
CONECT   66   70   68   69   69                                       
CONECT   67   64   65   68  107                                       
CONECT   68   66   77   67   89                                       
CONECT   69   66   66                                                 
CONECT   70   66   76  108  109                                       
CONECT   71   72   77   76  110                                       
CONECT   72   71   73   90  111                                       
CONECT   73   72   74   91   92                                       
CONECT   74   73   78   78   75                                       
CONECT   75   74   76  112  113                                       
CONECT   76   75   70   71  114                                       
CONECT   77   68   71   93  115                                       
CONECT   78   74   74   79   80                                       
CONECT   79   78   82  116  117                                       
CONECT   80   78   81   94   95                                       
CONECT   81   80   96   97  118                                       
CONECT   82   79   98   99  100                                       
CONECT   83   60                                                      
CONECT   84   60                                                      
CONECT   85   63                                                      
CONECT   86   63                                                      
CONECT   87   64                                                      
CONECT   88   65                                                      
CONECT   89   68                                                      
CONECT   90   72                                                      
CONECT   91   73                                                      
CONECT   92   73                                                      
CONECT   93   77                                                      
CONECT   94   80                                                      
CONECT   95   80                                                      
CONECT   96   81                                                      
CONECT   97   81                                                      
CONECT   98   82                                                      
CONECT   99   82                                                      
CONECT  100   82                                                      
CONECT  101   57                                                      
CONECT  102   57                                                      
CONECT  103   59                                                      
CONECT  104   59                                                      
CONECT  105   62                                                      
CONECT  106   62                                                      
CONECT  107   67                                                      
CONECT  108   70                                                      
CONECT  109   70                                                      
CONECT  110   71                                                      
CONECT  111   72                                                      
CONECT  112   75                                                      
CONECT  113   75                                                      
CONECT  114   76                                                      
CONECT  115   77                                                      
CONECT  116   79                                                      
CONECT  117   79                                                      
CONECT  118   81                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
