COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.208  -1.536   0.841  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.805  -0.393   0.891  1.00  0.00           O  
HETATM    3  C   UNL     1      -8.682  -1.809   0.695  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.444  -0.483   0.641  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.941  -0.761   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.703   0.565   0.439  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.200   0.288   0.290  1.00  0.00           C  
HETATM    8  S   UNL     1     -13.572  -0.414  -1.369  1.00  0.00           S  
HETATM    9  C   UNL     1     -15.299   0.214  -1.418  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.191   1.562  -0.679  1.00  0.00           C  
HETATM   11  N   UNL     1     -14.896   2.626  -1.651  1.00  0.00           N  
HETATM   12  C   UNL     1     -13.733   3.206  -1.325  1.00  0.00           C  
HETATM   13  O   UNL     1     -13.247   4.121  -1.962  1.00  0.00           O  
HETATM   14  N   UNL     1     -13.155   2.687  -0.234  1.00  0.00           N  
HETATM   15  C   UNL     1     -14.003   1.603   0.294  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.594   0.273   2.374  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.118  -0.941   1.651  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.476  -1.190   1.614  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.958  -2.308   0.948  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.718  -2.925   0.357  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.336  -2.561   0.910  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.075  -3.176   0.319  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.759  -3.866  -0.326  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.237  -1.805   1.018  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.900  -1.559   1.054  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.357  -0.766  -0.003  1.00  0.00           C  
HETATM   27  C   UNL     1       1.126  -0.600   0.203  1.00  0.00           C  
HETATM   28  O   UNL     1       1.666  -1.111   1.162  1.00  0.00           O  
HETATM   29  C   UNL     1       5.225   1.786  -0.861  1.00  0.00           C  
HETATM   30  N   UNL     1       1.854   0.115  -0.677  1.00  0.00           N  
HETATM   31  O   UNL     1       6.047   1.743  -1.751  1.00  0.00           O  
HETATM   32  C   UNL     1       3.768   1.556  -1.170  1.00  0.00           C  
HETATM   33  C   UNL     1       3.658  -2.171  -0.306  1.00  0.00           C  
HETATM   34  C   UNL     1       4.031  -0.927  -1.071  1.00  0.00           C  
HETATM   35  C   UNL     1       2.974  -4.453   1.097  1.00  0.00           C  
HETATM   36  C   UNL     1       3.296   0.276  -0.476  1.00  0.00           C  
HETATM   37  O   UNL     1       3.595   1.423  -2.582  1.00  0.00           O  
HETATM   38  C   UNL     1       2.574  -2.929  -0.706  1.00  0.00           C  
HETATM   39  C   UNL     1       4.405  -2.557   0.792  1.00  0.00           C  
HETATM   40  C   UNL     1       2.232  -4.070  -0.004  1.00  0.00           C  
HETATM   41  C   UNL     1       4.063  -3.699   1.493  1.00  0.00           C  
HETATM   42  C   UNL     1       7.812   1.058   0.395  1.00  0.00           C  
HETATM   43  N   UNL     1       5.613   2.041   0.404  1.00  0.00           N  
HETATM   44  O   UNL     1       7.256  -0.004   0.212  1.00  0.00           O  
HETATM   45  C   UNL     1       7.004   2.277   0.760  1.00  0.00           C  
HETATM   46  C   UNL     1       7.205   2.574   2.264  1.00  0.00           C  
HETATM   47  C   UNL     1       4.658   2.107   1.527  1.00  0.00           C  
HETATM   48  C   UNL     1       8.262   3.660   2.474  1.00  0.00           C  
HETATM   49  C   UNL     1       7.568   1.301   3.032  1.00  0.00           C  
HETATM   50  S   UNL     1       5.531   3.179   2.739  1.00  0.00           S  
HETATM   51  N   UNL     1       9.151   1.149   0.272  1.00  0.00           N  
HETATM   52  O   UNL     1      11.754   1.487   0.520  1.00  0.00           O  
HETATM   53  C   UNL     1       9.935  -0.036  -0.083  1.00  0.00           C  
HETATM   54  C   UNL     1      10.053  -0.156  -1.587  1.00  0.00           C  
HETATM   55  C   UNL     1       9.100   0.005  -2.578  1.00  0.00           C  
HETATM   56  C   UNL     1       9.443  -0.156  -3.906  1.00  0.00           C  
HETATM   57  C   UNL     1      11.385   0.110   0.426  1.00  0.00           C  
HETATM   58  C   UNL     1      11.353  -0.481  -1.929  1.00  0.00           C  
HETATM   59  C   UNL     1      11.695  -0.644  -3.261  1.00  0.00           C  
HETATM   60  C   UNL     1      10.742  -0.481  -4.248  1.00  0.00           C  
HETATM   61  C   UNL     1      12.197  -0.601  -0.678  1.00  0.00           C  
HETATM   62  H   UNL     1      -8.859  -2.367  -0.225  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.030  -2.394   1.547  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.267   0.075   1.560  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.097   0.101  -0.211  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.118  -1.319  -0.427  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.289  -1.345   1.344  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.526   1.123   1.358  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.355   1.149  -0.414  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.548  -0.380   1.079  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.627   0.364  -2.447  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.973  -0.464  -0.895  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.118   1.776  -0.147  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.454   2.869  -2.407  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.313   2.978   0.150  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.346   1.844   1.300  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.391   0.017   3.414  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.675   0.612   1.897  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.338   1.069   2.334  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.162  -0.515   2.104  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.662  -3.475   0.933  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.449  -4.048  -0.196  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.605  -3.544  -1.356  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.806  -3.861   0.202  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.173  -4.875  -0.319  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.538  -1.260  -0.958  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.835   0.213  -0.005  1.00  0.00           H  
HETATM   88  H   UNL     1       1.422   0.524  -1.444  1.00  0.00           H  
HETATM   89  H   UNL     1       3.182   2.401  -0.810  1.00  0.00           H  
HETATM   90  H   UNL     1       5.107  -0.766  -1.001  1.00  0.00           H  
HETATM   91  H   UNL     1       3.748  -1.045  -2.117  1.00  0.00           H  
HETATM   92  H   UNL     1       2.707  -5.345   1.645  1.00  0.00           H  
HETATM   93  H   UNL     1       3.509   0.341   0.591  1.00  0.00           H  
HETATM   94  H   UNL     1       4.089   0.689  -2.972  1.00  0.00           H  
HETATM   95  H   UNL     1       1.994  -2.630  -1.566  1.00  0.00           H  
HETATM   96  H   UNL     1       5.254  -1.967   1.101  1.00  0.00           H  
HETATM   97  H   UNL     1       1.381  -4.660  -0.314  1.00  0.00           H  
HETATM   98  H   UNL     1       4.643  -3.998   2.353  1.00  0.00           H  
HETATM   99  H   UNL     1       7.374   3.127   0.186  1.00  0.00           H  
HETATM  100  H   UNL     1       3.721   2.565   1.211  1.00  0.00           H  
HETATM  101  H   UNL     1       4.484   1.116   1.946  1.00  0.00           H  
HETATM  102  H   UNL     1       7.944   4.577   1.976  1.00  0.00           H  
HETATM  103  H   UNL     1       8.382   3.849   3.540  1.00  0.00           H  
HETATM  104  H   UNL     1       9.211   3.329   2.054  1.00  0.00           H  
HETATM  105  H   UNL     1       8.493   0.887   2.631  1.00  0.00           H  
HETATM  106  H   UNL     1       7.703   1.540   4.087  1.00  0.00           H  
HETATM  107  H   UNL     1       6.766   0.571   2.924  1.00  0.00           H  
HETATM  108  H   UNL     1       9.595   1.999   0.418  1.00  0.00           H  
HETATM  109  H   UNL     1      12.657   1.632   0.835  1.00  0.00           H  
HETATM  110  H   UNL     1       9.476  -0.932   0.335  1.00  0.00           H  
HETATM  111  H   UNL     1       8.084   0.259  -2.311  1.00  0.00           H  
HETATM  112  H   UNL     1       8.697  -0.029  -4.677  1.00  0.00           H  
HETATM  113  H   UNL     1      11.511  -0.390   1.386  1.00  0.00           H  
HETATM  114  H   UNL     1      12.710  -0.897  -3.530  1.00  0.00           H  
HETATM  115  H   UNL     1      11.012  -0.608  -5.286  1.00  0.00           H  
HETATM  116  H   UNL     1      13.157  -0.104  -0.821  1.00  0.00           H  
HETATM  117  H   UNL     1      12.347  -1.649  -0.422  1.00  0.00           H  
CONECT    1    2    2    3   21                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   62   63                                       
CONECT    4    5    3   64   65                                       
CONECT    5    6    4   66   67                                       
CONECT    6    7    5   68   69                                       
CONECT    7   15    6    8   70                                       
CONECT    8    9    7                                                 
CONECT    9   10    8   71   72                                       
CONECT   10   11    9   15   73                                       
CONECT   11   12   10   74                                            
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   75                                            
CONECT   15   14   10    7   76                                       
CONECT   16   17   77   78   79                                       
CONECT   17   24   24   18   16                                       
CONECT   18   19   19   17   80                                       
CONECT   19   22   21   18   18                                       
CONECT   20   23   22   22   24                                       
CONECT   21    1   19   81                                            
CONECT   22   20   20   19   82                                       
CONECT   23   20   83   84   85                                       
CONECT   24   20   25   17   17                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   86   87                                       
CONECT   27   30   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   31   31   32   43                                       
CONECT   30   36   27   88                                            
CONECT   31   29   29                                                 
CONECT   32   36   29   37   89                                       
CONECT   33   38   38   39   34                                       
CONECT   34   33   36   90   91                                       
CONECT   35   40   40   41   92                                       
CONECT   36   34   30   32   93                                       
CONECT   37   32   94                                                 
CONECT   38   40   33   33   95                                       
CONECT   39   41   41   33   96                                       
CONECT   40   35   35   38   97                                       
CONECT   41   35   39   39   98                                       
CONECT   42   44   44   51   45                                       
CONECT   43   29   45   47                                            
CONECT   44   42   42                                                 
CONECT   45   42   43   46   99                                       
CONECT   46   45   49   50   48                                       
CONECT   47   43   50  100  101                                       
CONECT   48   46  102  103  104                                       
CONECT   49   46  105  106  107                                       
CONECT   50   47   46                                                 
CONECT   51   53   42  108                                            
CONECT   52   57  109                                                 
CONECT   53   54   57   51  110                                       
CONECT   54   55   55   58   53                                       
CONECT   55   56   54   54  111                                       
CONECT   56   60   60   55  112                                       
CONECT   57   61   53   52  113                                       
CONECT   58   59   59   54   61                                       
CONECT   59   60   58   58  114                                       
CONECT   60   56   56   59  115                                       
CONECT   61   58   57  116  117                                       
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    7                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   18                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   30                                                      
CONECT   89   32                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   45                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   55                                                      
CONECT  112   56                                                      
CONECT  113   57                                                      
CONECT  114   59                                                      
CONECT  115   60                                                      
CONECT  116   61                                                      
CONECT  117   61                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
