COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.561  -0.389   1.852  1.00  0.00           C  
HETATM    2  C   UNL     1       4.491  -0.132   0.822  1.00  0.00           C  
HETATM    3  O   UNL     1       4.707   0.626  -0.100  1.00  0.00           O  
HETATM    4  C   UNL     1       9.053   1.878   0.878  1.00  0.00           C  
HETATM    5  C   UNL     1       8.068   2.428   1.696  1.00  0.00           C  
HETATM    6  C   UNL     1       6.943   1.691   2.008  1.00  0.00           C  
HETATM    7  C   UNL     1       6.792   0.410   1.509  1.00  0.00           C  
HETATM    8  C   UNL     1       7.766  -0.141   0.696  1.00  0.00           C  
HETATM    9  C   UNL     1       8.895   0.586   0.379  1.00  0.00           C  
HETATM   10  C   UNL     1      12.516   4.140  -0.107  1.00  0.00           C  
HETATM   11  C   UNL     1      11.246   2.117  -0.284  1.00  0.00           C  
HETATM   12  C   UNL     1      10.261   2.667   0.534  1.00  0.00           C  
HETATM   13  C   UNL     1      12.368   2.856  -0.600  1.00  0.00           C  
HETATM   14  C   UNL     1      10.420   3.957   1.037  1.00  0.00           C  
HETATM   15  C   UNL     1      11.544   4.688   0.710  1.00  0.00           C  
HETATM   16  N   UNL     1       3.295  -0.744   0.925  1.00  0.00           N  
HETATM   17  C   UNL     1       2.255  -0.494  -0.076  1.00  0.00           C  
HETATM   18  C   UNL     1       0.900  -0.751   0.531  1.00  0.00           C  
HETATM   19  O   UNL     1       0.812  -1.109   1.687  1.00  0.00           O  
HETATM   20  C   UNL     1       2.464  -1.426  -1.271  1.00  0.00           C  
HETATM   21  C   UNL     1       4.156  -2.295  -3.380  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.213  -0.585  -0.209  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.530  -0.835   0.381  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.861  -2.325   0.277  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.876  -3.127   1.130  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.206  -4.617   1.026  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.263  -5.385   1.843  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.364  -6.755   1.906  1.00  0.00           C  
HETATM   29  N   UNL     1       0.521  -7.475   2.672  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.299  -7.370   1.238  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.572  -0.037  -0.359  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.247   0.672  -1.288  1.00  0.00           O  
HETATM   33  N   UNL     1      -3.866  -0.110   0.012  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.879   0.666  -0.707  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.057   0.917   0.199  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.051   0.488   1.334  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.340  -0.114  -1.939  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.190  -0.258  -2.902  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.346  -1.349  -2.813  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.983   0.698  -3.879  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.291  -1.481  -3.697  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.928   0.567  -4.762  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.080  -0.521  -4.669  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.498   2.920   0.784  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.531   4.050   1.580  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.614   4.282   2.407  1.00  0.00           C  
HETATM   47  C   UNL     1     -12.664   3.385   2.438  1.00  0.00           C  
HETATM   48  C   UNL     1     -12.632   2.255   1.643  1.00  0.00           C  
HETATM   49  C   UNL     1     -11.549   2.022   0.816  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.320   2.670  -0.122  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.262   1.859   0.629  1.00  0.00           C  
HETATM   52  N   UNL     1      -7.117   1.616  -0.252  1.00  0.00           N  
HETATM   53  S   UNL     1       4.095  -1.116  -2.002  1.00  0.00           S  
HETATM   54  H   UNL     1       5.197  -0.091   2.836  1.00  0.00           H  
HETATM   55  H   UNL     1       5.808  -1.451   1.862  1.00  0.00           H  
HETATM   56  H   UNL     1       8.185   3.428   2.086  1.00  0.00           H  
HETATM   57  H   UNL     1       6.179   2.116   2.642  1.00  0.00           H  
HETATM   58  H   UNL     1       7.643  -1.142   0.310  1.00  0.00           H  
HETATM   59  H   UNL     1       9.656   0.155  -0.256  1.00  0.00           H  
HETATM   60  H   UNL     1      13.396   4.714  -0.357  1.00  0.00           H  
HETATM   61  H   UNL     1      11.132   1.115  -0.669  1.00  0.00           H  
HETATM   62  H   UNL     1      13.132   2.431  -1.234  1.00  0.00           H  
HETATM   63  H   UNL     1       9.664   4.385   1.678  1.00  0.00           H  
HETATM   64  H   UNL     1      11.664   5.691   1.092  1.00  0.00           H  
HETATM   65  H   UNL     1       3.122  -1.350   1.663  1.00  0.00           H  
HETATM   66  H   UNL     1       2.313   0.543  -0.409  1.00  0.00           H  
HETATM   67  H   UNL     1       2.406  -2.462  -0.938  1.00  0.00           H  
HETATM   68  H   UNL     1       1.691  -1.240  -2.016  1.00  0.00           H  
HETATM   69  H   UNL     1       5.108  -2.197  -3.900  1.00  0.00           H  
HETATM   70  H   UNL     1       4.055  -3.309  -2.994  1.00  0.00           H  
HETATM   71  H   UNL     1       3.340  -2.087  -4.072  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.142  -0.299  -1.134  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.521  -0.538   1.429  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.875  -2.498   0.635  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.783  -2.643  -0.763  1.00  0.00           H  
HETATM   76  H   UNL     1       0.139  -2.954   0.772  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.953  -2.809   2.170  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.221  -4.790   1.384  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.128  -4.935  -0.014  1.00  0.00           H  
HETATM   80  H   UNL     1       0.433  -4.927   2.339  1.00  0.00           H  
HETATM   81  H   UNL     1       1.217  -7.017   3.169  1.00  0.00           H  
HETATM   82  H   UNL     1       0.449  -8.441   2.716  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.924  -6.862   0.697  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.126  -0.677   0.755  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.452   1.620  -1.020  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.685  -1.103  -1.635  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.156   0.421  -2.425  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.510  -2.098  -2.053  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.645   1.548  -3.952  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.631  -2.333  -3.627  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.766   1.314  -5.525  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.256  -0.624  -5.360  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.709   4.751   1.556  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.639   5.165   3.029  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.510   3.566   3.085  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.453   1.553   1.667  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.524   1.140   0.194  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.649   2.114  -1.000  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.934   2.415   1.507  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.122   1.958  -1.159  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.894   3.623  -0.434  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.689   0.906   0.942  1.00  0.00           H  
CONECT    1    7    2   54   55                                       
CONECT    2    3    3    1   16                                       
CONECT    3    2    2                                                 
CONECT    4   12    9    9    5                                       
CONECT    5    4    6    6   56                                       
CONECT    6    7    5    5   57                                       
CONECT    7    8    8    6    1                                       
CONECT    8    9    7    7   58                                       
CONECT    9    4    4    8   59                                       
CONECT   10   15   13   13   60                                       
CONECT   11   12   12   13   61                                       
CONECT   12   14    4   11   11                                       
CONECT   13   10   10   11   62                                       
CONECT   14   15   15   12   63                                       
CONECT   15   14   14   10   64                                       
CONECT   16    2   17   65                                            
CONECT   17   20   16   18   66                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18                                                 
CONECT   20   53   17   67   68                                       
CONECT   21   53   69   70   71                                       
CONECT   22   18   23   72                                            
CONECT   23   22   24   31   73                                       
CONECT   24   25   23   74   75                                       
CONECT   25   26   24   76   77                                       
CONECT   26   27   25   78   79                                       
CONECT   27   28   26   80                                            
CONECT   28   30   30   29   27                                       
CONECT   29   28   81   82                                            
CONECT   30   28   28   83                                            
CONECT   31   23   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   84                                            
CONECT   34   33   35   37   85                                       
CONECT   35   36   36   34   52                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   86   87                                       
CONECT   38   37   40   40   39                                       
CONECT   39   38   41   41   88                                       
CONECT   40   38   38   42   89                                       
CONECT   41   39   39   43   90                                       
CONECT   42   40   43   43   91                                       
CONECT   43   42   42   41   92                                       
CONECT   44   49   50   45   45                                       
CONECT   45   44   44   46   93                                       
CONECT   46   47   47   45   94                                       
CONECT   47   48   46   46   95                                       
CONECT   48   49   49   47   96                                       
CONECT   49   48   48   44   97                                       
CONECT   50   51   44   98  101                                       
CONECT   51   50   52   99  102                                       
CONECT   52   35   51  100                                            
CONECT   53   21   20                                                 
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
