COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.984   2.227  -0.858  1.00  0.00           C  
HETATM    2  C   UNL     1       8.630   2.152  -0.525  1.00  0.00           C  
HETATM    3  C   UNL     1       9.894  -0.007  -0.254  1.00  0.00           C  
HETATM    4  C   UNL     1      10.385  -1.373  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      10.007  -3.707   0.688  1.00  0.00           C  
HETATM    6  C   UNL     1       9.119  -4.382   1.728  1.00  0.00           C  
HETATM    7  S   UNL     1       8.237   0.519  -0.007  1.00  0.00           S  
HETATM    8  O   UNL     1       8.525  -7.067   0.290  1.00  0.00           O  
HETATM    9  O   UNL     1      10.662  -7.940   1.119  1.00  0.00           O  
HETATM   10  N   UNL     1      11.640  -1.664  -0.225  1.00  0.00           N  
HETATM   11  C   UNL     1       9.755  -5.698   2.183  1.00  0.00           C  
HETATM   12  C   UNL     1      10.729  -5.817  -0.449  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.879   1.719  -0.276  1.00  0.00           N  
HETATM   14  N   UNL     1       9.519  -2.347   0.445  1.00  0.00           N  
HETATM   15  C   UNL     1      10.501   3.529  -1.317  1.00  0.00           C  
HETATM   16  O   UNL     1      11.677   3.642  -1.619  1.00  0.00           O  
HETATM   17  C   UNL     1      10.649   1.008  -0.688  1.00  0.00           C  
HETATM   18  C   UNL     1       7.803   3.359  -0.647  1.00  0.00           C  
HETATM   19  C   UNL     1       6.362   3.312  -0.301  1.00  0.00           C  
HETATM   20  C   UNL     1       5.878   4.059   0.773  1.00  0.00           C  
HETATM   21  C   UNL     1       4.533   4.013   1.092  1.00  0.00           C  
HETATM   22  C   UNL     1       5.004   5.528   2.865  1.00  0.00           C  
HETATM   23  C   UNL     1       3.665   3.223   0.342  1.00  0.00           C  
HETATM   24  C   UNL     1       1.510   2.348  -0.154  1.00  0.00           C  
HETATM   25  C   UNL     1       0.089   2.425   0.341  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.260   1.794   0.205  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.152   0.904  -0.663  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.595   0.983  -0.161  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.487   0.093  -1.029  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.930   0.171  -0.527  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.821  -0.719  -1.395  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.093  -1.381  -1.591  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.714  -2.168  -2.678  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.650  -2.922  -3.354  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.983  -2.908  -2.964  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.378  -2.133  -1.888  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.670  -1.884  -1.215  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.513  -0.537   0.699  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.369   0.951   0.884  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.983   0.689   2.767  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.048  -0.813   2.691  1.00  0.00           C  
HETATM   42  C   UNL     1     -14.381  -1.228   2.060  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.426  -1.359  -1.191  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.170  -0.668  -0.123  1.00  0.00           C  
HETATM   45  C   UNL     1       4.148   2.481  -0.725  1.00  0.00           C  
HETATM   46  C   UNL     1       5.488   2.528  -1.051  1.00  0.00           C  
HETATM   47  C   UNL     1       8.364   4.517  -1.079  1.00  0.00           C  
HETATM   48  C   UNL     1      10.230   5.868  -1.865  1.00  0.00           C  
HETATM   49  C   UNL     1       9.990  -4.489  -0.623  1.00  0.00           C  
HETATM   50  N   UNL     1     -13.465  -1.023  -0.201  1.00  0.00           N  
HETATM   51  N   UNL     1     -13.627   1.460   1.878  1.00  0.00           N  
HETATM   52  N   UNL     1       9.683   4.589  -1.404  1.00  0.00           N  
HETATM   53  O   UNL     1      -0.184   3.123   1.294  1.00  0.00           O  
HETATM   54  O   UNL     1       4.058   4.740   2.139  1.00  0.00           O  
HETATM   55  O   UNL     1       2.343   3.179   0.657  1.00  0.00           O  
HETATM   56  O   UNL     1      -9.169  -0.645  -0.926  1.00  0.00           O  
HETATM   57  O   UNL     1     -12.337   1.212   3.650  1.00  0.00           O  
HETATM   58  O   UNL     1     -14.935   1.702   0.119  1.00  0.00           O  
HETATM   59  O   UNL     1     -14.738  -2.372  -1.525  1.00  0.00           O  
HETATM   60  O   UNL     1     -11.692   0.095   0.694  1.00  0.00           O  
HETATM   61  S   UNL     1       9.842  -6.833   0.767  1.00  0.00           S  
HETATM   62  H   UNL     1      11.029  -3.659   1.064  1.00  0.00           H  
HETATM   63  H   UNL     1       9.001  -3.721   2.587  1.00  0.00           H  
HETATM   64  H   UNL     1       8.141  -4.586   1.292  1.00  0.00           H  
HETATM   65  H   UNL     1      12.249  -0.980  -0.544  1.00  0.00           H  
HETATM   66  H   UNL     1      10.759  -5.507   2.560  1.00  0.00           H  
HETATM   67  H   UNL     1       9.147  -6.143   2.972  1.00  0.00           H  
HETATM   68  H   UNL     1      10.766  -6.341  -1.404  1.00  0.00           H  
HETATM   69  H   UNL     1      11.743  -5.627  -0.098  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.660   1.161  -1.039  1.00  0.00           H  
HETATM   71  H   UNL     1       8.587  -2.131   0.604  1.00  0.00           H  
HETATM   72  H   UNL     1      11.702   0.893  -0.902  1.00  0.00           H  
HETATM   73  H   UNL     1       6.552   4.671   1.354  1.00  0.00           H  
HETATM   74  H   UNL     1       4.495   6.055   3.671  1.00  0.00           H  
HETATM   75  H   UNL     1       5.772   4.878   3.284  1.00  0.00           H  
HETATM   76  H   UNL     1       5.466   6.250   2.193  1.00  0.00           H  
HETATM   77  H   UNL     1       1.860   1.317  -0.097  1.00  0.00           H  
HETATM   78  H   UNL     1       1.554   2.689  -1.189  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.304   1.453   1.239  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.610   2.825   0.148  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.109   1.245  -1.698  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.803  -0.127  -0.606  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.639   0.641   0.873  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.944   2.013  -0.218  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.443   0.434  -2.064  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.137  -0.938  -0.972  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.973  -0.170   0.507  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.279   1.202  -0.584  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.778  -0.377  -2.430  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.472  -1.749  -1.338  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.681  -2.188  -2.992  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.345  -3.527  -4.194  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.709  -3.501  -3.500  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.491  -0.758   0.272  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.225  -1.183   2.079  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.972  -1.233   3.694  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.203  -0.922   2.707  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.402  -2.310   1.925  1.00  0.00           H  
HETATM   99  H   UNL     1       3.473   1.869  -1.304  1.00  0.00           H  
HETATM  100  H   UNL     1       5.861   1.952  -1.886  1.00  0.00           H  
HETATM  101  H   UNL     1       7.749   5.400  -1.168  1.00  0.00           H  
HETATM  102  H   UNL     1      11.292   5.753  -2.080  1.00  0.00           H  
HETATM  103  H   UNL     1       9.708   6.182  -2.768  1.00  0.00           H  
HETATM  104  H   UNL     1      10.096   6.620  -1.087  1.00  0.00           H  
HETATM  105  H   UNL     1       8.958  -4.684  -0.914  1.00  0.00           H  
HETATM  106  H   UNL     1      10.478  -3.901  -1.401  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.553   2.424   1.958  1.00  0.00           H  
CONECT    1   15   17    2    2                                       
CONECT    2    1    1   18    7                                       
CONECT    3   17   17    4    7                                       
CONECT    4   14    3   10   10                                       
CONECT    5   49    6   14   62                                       
CONECT    6   11    5   63   64                                       
CONECT    7    3    2                                                 
CONECT    8   61   61                                                 
CONECT    9   61   61                                                 
CONECT   10    4    4   65                                            
CONECT   11   61    6   66   67                                       
CONECT   12   61   49   68   69                                       
CONECT   13   25   26   70                                            
CONECT   14    5    4   71                                            
CONECT   15   16   16   52    1                                       
CONECT   16   15   15                                                 
CONECT   17    1    3    3   72                                       
CONECT   18   47   47    2   19                                       
CONECT   19   18   46   46   20                                       
CONECT   20   19   21   21   73                                       
CONECT   21   20   20   23   54                                       
CONECT   22   54   74   75   76                                       
CONECT   23   45   45   21   55                                       
CONECT   24   55   25   77   78                                       
CONECT   25   24   13   53   53                                       
CONECT   26   13   27   79   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   27   29   83   84                                       
CONECT   29   28   30   85   86                                       
CONECT   30   29   31   87   88                                       
CONECT   31   30   56   89   90                                       
CONECT   32   33   56   43   43                                       
CONECT   33   34   34   32   91                                       
CONECT   34   33   33   35   92                                       
CONECT   35   34   36   36   93                                       
CONECT   36   35   35   43   37                                       
CONECT   37   36   50   59   59                                       
CONECT   38   50   39   42   94                                       
CONECT   39   58   58   38   51                                       
CONECT   40   51   41   57   57                                       
CONECT   41   42   40   95   96                                       
CONECT   42   38   41   97   98                                       
CONECT   43   32   32   36   44                                       
CONECT   44   43   60   60   50                                       
CONECT   45   46   23   23   99                                       
CONECT   46   19   19   45  100                                       
CONECT   47   52   18   18  101                                       
CONECT   48   52  102  103  104                                       
CONECT   49   12    5  105  106                                       
CONECT   50   44   37   38                                            
CONECT   51   39   40  107                                            
CONECT   52   48   15   47                                            
CONECT   53   25   25                                                 
CONECT   54   21   22                                                 
CONECT   55   23   24                                                 
CONECT   56   31   32                                                 
CONECT   57   40   40                                                 
CONECT   58   39   39                                                 
CONECT   59   37   37                                                 
CONECT   60   44   44                                                 
CONECT   61    8    8    9    9                                       
CONECT   61   12   11                                                 
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   17                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   38                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   51                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
