COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.160   0.691  -0.073  1.00  0.00           C  
HETATM    2  O   UNL     1       9.506  -0.469  -0.181  1.00  0.00           O  
HETATM    3  O   UNL     1      10.057   1.680  -0.244  1.00  0.00           O  
HETATM    4  C   UNL     1      11.420   1.287  -0.554  1.00  0.00           C  
HETATM    5  C   UNL     1      12.275   2.519  -0.709  1.00  0.00           C  
HETATM    6  C   UNL     1      12.925   3.052   0.389  1.00  0.00           C  
HETATM    7  C   UNL     1      13.709   4.181   0.247  1.00  0.00           C  
HETATM    8  C   UNL     1      13.844   4.778  -0.992  1.00  0.00           C  
HETATM    9  C   UNL     1      13.195   4.245  -2.090  1.00  0.00           C  
HETATM   10  C   UNL     1      12.414   3.112  -1.950  1.00  0.00           C  
HETATM   11  N   UNL     1       7.877   0.987   0.212  1.00  0.00           N  
HETATM   12  C   UNL     1       6.899  -0.089   0.391  1.00  0.00           C  
HETATM   13  C   UNL     1       5.517   0.432   0.090  1.00  0.00           C  
HETATM   14  O   UNL     1       5.365   1.589  -0.243  1.00  0.00           O  
HETATM   15  C   UNL     1       6.951  -0.589   1.836  1.00  0.00           C  
HETATM   16  C   UNL     1       8.313  -1.231   2.105  1.00  0.00           C  
HETATM   17  C   UNL     1       8.364  -1.724   3.528  1.00  0.00           C  
HETATM   18  O   UNL     1       7.406  -1.576   4.256  1.00  0.00           O  
HETATM   19  N   UNL     1       9.476  -2.329   3.992  1.00  0.00           N  
HETATM   20  N   UNL     1       4.452  -0.387   0.189  1.00  0.00           N  
HETATM   21  C   UNL     1       3.109   0.120  -0.104  1.00  0.00           C  
HETATM   22  C   UNL     1       2.087  -0.711   0.629  1.00  0.00           C  
HETATM   23  O   UNL     1       2.446  -1.634   1.329  1.00  0.00           O  
HETATM   24  C   UNL     1       2.849   0.034  -1.610  1.00  0.00           C  
HETATM   25  O   UNL     1       2.833  -1.336  -2.013  1.00  0.00           O  
HETATM   26  C   UNL     1       3.958   0.774  -2.361  1.00  0.00           C  
HETATM   27  N   UNL     1       0.775  -0.426   0.509  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.218  -1.234   1.222  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.538  -1.158   0.501  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.640  -0.495  -0.510  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.383  -0.698   2.646  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.606  -1.827   0.978  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.891  -1.754   0.277  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.010  -2.025   1.248  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.760  -2.257   2.412  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.921  -2.797  -0.841  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.865  -2.450  -1.893  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.896  -3.494  -3.011  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.885  -3.161  -4.017  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.727  -3.958  -5.118  1.00  0.00           C  
HETATM   41  N   UNL     1      -2.493  -5.036  -5.274  1.00  0.00           N  
HETATM   42  N   UNL     1      -0.808  -3.655  -6.033  1.00  0.00           N1+
HETATM   43  N   UNL     1      -6.289  -2.010   0.824  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.377  -2.274   1.769  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.587  -3.762   1.891  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.895  -4.526   1.251  1.00  0.00           O  
HETATM   47  C   UNL     1      -8.663  -1.618   1.262  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.492  -0.098   1.257  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.778   0.559   0.750  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.606   2.079   0.744  1.00  0.00           C  
HETATM   51  N   UNL     1     -10.841   2.709   0.258  1.00  0.00           N1+
HETATM   52  N   UNL     1      -8.543  -4.243   2.710  1.00  0.00           N  
HETATM   53  C   UNL     1     -10.684   4.098   0.253  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.745   4.927  -0.178  1.00  0.00           C  
HETATM   55  C   UNL     1     -11.728   6.307  -0.235  1.00  0.00           C  
HETATM   56  C   UNL     1     -12.983   6.701  -0.719  1.00  0.00           C  
HETATM   57  C   UNL     1     -13.700   5.575  -0.935  1.00  0.00           C  
HETATM   58  O   UNL     1      -9.637   4.593   0.619  1.00  0.00           O  
HETATM   59  O   UNL     1     -12.953   4.512  -0.614  1.00  0.00           O  
HETATM   60  H   UNL     1      11.814   0.671   0.254  1.00  0.00           H  
HETATM   61  H   UNL     1      11.431   0.719  -1.484  1.00  0.00           H  
HETATM   62  H   UNL     1      12.819   2.585   1.357  1.00  0.00           H  
HETATM   63  H   UNL     1      14.216   4.598   1.105  1.00  0.00           H  
HETATM   64  H   UNL     1      14.456   5.661  -1.103  1.00  0.00           H  
HETATM   65  H   UNL     1      13.300   4.711  -3.059  1.00  0.00           H  
HETATM   66  H   UNL     1      11.911   2.694  -2.808  1.00  0.00           H  
HETATM   67  H   UNL     1       7.600   1.913   0.298  1.00  0.00           H  
HETATM   68  H   UNL     1       7.134  -0.910  -0.286  1.00  0.00           H  
HETATM   69  H   UNL     1       6.804   0.250   2.517  1.00  0.00           H  
HETATM   70  H   UNL     1       6.164  -1.327   1.994  1.00  0.00           H  
HETATM   71  H   UNL     1       8.460  -2.070   1.425  1.00  0.00           H  
HETATM   72  H   UNL     1       9.100  -0.493   1.948  1.00  0.00           H  
HETATM   73  H   UNL     1      10.243  -2.447   3.410  1.00  0.00           H  
HETATM   74  H   UNL     1       9.509  -2.646   4.908  1.00  0.00           H  
HETATM   75  H   UNL     1       4.574  -1.312   0.455  1.00  0.00           H  
HETATM   76  H   UNL     1       3.033   1.158   0.219  1.00  0.00           H  
HETATM   77  H   UNL     1       1.887   0.492  -1.839  1.00  0.00           H  
HETATM   78  H   UNL     1       2.673  -1.466  -2.958  1.00  0.00           H  
HETATM   79  H   UNL     1       4.920   0.316  -2.132  1.00  0.00           H  
HETATM   80  H   UNL     1       3.773   0.713  -3.434  1.00  0.00           H  
HETATM   81  H   UNL     1       3.970   1.820  -2.053  1.00  0.00           H  
HETATM   82  H   UNL     1       0.489   0.312  -0.051  1.00  0.00           H  
HETATM   83  H   UNL     1       0.117  -2.270   1.260  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.717   0.339   2.607  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.122  -1.298   3.176  1.00  0.00           H  
HETATM   86  H   UNL     1       0.573  -0.753   3.168  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.525  -2.357   1.786  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.014  -0.759  -0.151  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.709  -3.782  -0.425  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.908  -2.804  -1.306  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.078  -1.465  -2.309  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.879  -2.443  -1.429  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.684  -4.478  -2.595  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.882  -3.500  -3.475  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.327  -2.375  -3.904  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.162  -5.257  -4.608  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.381  -5.602  -6.055  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.251  -2.870  -5.919  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.696  -4.220  -6.813  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.489  -1.825  -0.107  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.120  -1.863   2.744  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.873  -1.964   0.250  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.491  -1.888   1.917  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.282   0.248   2.269  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.664   0.172   0.601  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.987   0.213  -0.263  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.606   0.289   1.405  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.397   2.424   1.757  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.778   2.349   0.089  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.035   2.389  -0.679  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.608   2.459   0.864  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.096  -3.632   3.221  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.678  -5.200   2.788  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.909   6.955   0.041  1.00  0.00           H  
HETATM  115  H   UNL     1     -13.314   7.715  -0.888  1.00  0.00           H  
HETATM  116  H   UNL     1     -14.713   5.539  -1.309  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   60   61                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   62                                       
CONECT    7    6    8    8   63                                       
CONECT    8    7    7    9   64                                       
CONECT    9    8   10   10   65                                       
CONECT   10    5    9    9   66                                       
CONECT   11   12   67    1                                            
CONECT   12   11   13   15   68                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   69   70                                       
CONECT   16   15   17   71   72                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   73   74                                            
CONECT   20   21   75   13                                            
CONECT   21   20   22   24   76                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   26   77                                       
CONECT   25   24   78                                                 
CONECT   26   24   79   80   81                                       
CONECT   27   28   82   22                                            
CONECT   28   27   29   31   83                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29                                                 
CONECT   31   28   84   85   86                                       
CONECT   32   33   87   29                                            
CONECT   33   32   34   36   88                                       
CONECT   34   33   35   35   43                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   89   90                                       
CONECT   37   36   38   91   92                                       
CONECT   38   37   39   93   94                                       
CONECT   39   38   40   95                                            
CONECT   40   39   41   42   42                                       
CONECT   41   40   96   97                                            
CONECT   42   40   40   98   99                                       
CONECT   43   44  100   34                                            
CONECT   44   43   45   47  101                                       
CONECT   45   44   46   46   52                                       
CONECT   46   45   45                                                 
CONECT   47   44   48  102  103                                       
CONECT   48   47   49  104  105                                       
CONECT   49   48   50  106  107                                       
CONECT   50   49   51  108  109                                       
CONECT   51   50  110  111   53                                       
CONECT   52  112  113   45                                            
CONECT   53   54   58   58   51                                       
CONECT   54   53   55   55   59                                       
CONECT   55   54   54   56  114                                       
CONECT   56   55   57   57  115                                       
CONECT   57   56   56   59  116                                       
CONECT   58   53   53                                                 
CONECT   59   54   57                                                 
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   41                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   52                                                      
CONECT  113   52                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   57                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
