COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.925   2.517   1.190  1.00  0.00           C  
HETATM    2  O   UNL     1       8.933   1.838   0.376  1.00  0.00           O  
HETATM    3  C   UNL     1       7.624   1.975   0.656  1.00  0.00           C  
HETATM    4  O   UNL     1       7.272   2.667   1.591  1.00  0.00           O  
HETATM    5  N   UNL     1       6.703   1.345  -0.100  1.00  0.00           N  
HETATM    6  C   UNL     1       5.278   1.495   0.205  1.00  0.00           C  
HETATM    7  C   UNL     1       4.744   2.763  -0.462  1.00  0.00           C  
HETATM    8  C   UNL     1       4.840   2.619  -1.982  1.00  0.00           C  
HETATM    9  C   UNL     1       3.282   2.974  -0.061  1.00  0.00           C  
HETATM   10  C   UNL     1       5.575   3.966  -0.011  1.00  0.00           C  
HETATM   11  C   UNL     1       4.524   0.298  -0.315  1.00  0.00           C  
HETATM   12  O   UNL     1       4.968  -0.340  -1.247  1.00  0.00           O  
HETATM   13  N   UNL     1       3.358  -0.064   0.255  1.00  0.00           N  
HETATM   14  C   UNL     1       2.688  -1.297  -0.167  1.00  0.00           C  
HETATM   15  C   UNL     1       3.266  -2.482   0.609  1.00  0.00           C  
HETATM   16  C   UNL     1       4.715  -2.668   0.237  1.00  0.00           C  
HETATM   17  C   UNL     1       5.701  -2.016   0.953  1.00  0.00           C  
HETATM   18  C   UNL     1       7.030  -2.186   0.611  1.00  0.00           C  
HETATM   19  C   UNL     1       7.372  -3.009  -0.446  1.00  0.00           C  
HETATM   20  C   UNL     1       6.385  -3.662  -1.161  1.00  0.00           C  
HETATM   21  C   UNL     1       5.057  -3.495  -0.816  1.00  0.00           C  
HETATM   22  C   UNL     1       1.189  -1.185   0.116  1.00  0.00           C  
HETATM   23  O   UNL     1       0.981  -0.985   1.516  1.00  0.00           O  
HETATM   24  C   UNL     1       0.611   0.000  -0.660  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.855  -0.096  -0.680  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.168  -1.154  -1.485  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.307  -1.845  -1.278  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.635  -2.720  -2.052  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.173  -1.531  -0.086  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.630  -2.259   1.145  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.277  -1.661   1.537  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.613  -2.101   2.307  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.456  -3.745   0.823  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.545  -1.971  -0.348  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.575  -1.386   0.293  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.366  -0.492   1.089  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.836  -1.791   0.052  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.947  -1.160   0.743  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.348   1.110  -1.358  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.798   1.326  -1.008  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.135   2.106   0.083  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.461   2.307   0.408  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.787   0.748  -1.784  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.116   0.938  -1.465  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.462   1.722  -0.366  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.889   1.934  -0.022  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.823   2.132  -1.037  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.151   2.328  -0.700  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.502   2.321   0.642  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.523   2.119   1.598  1.00  0.00           C  
HETATM   51  N   UNL     1      -7.267   1.929   1.250  1.00  0.00           N  
HETATM   52  H   UNL     1       9.758   3.593   1.145  1.00  0.00           H  
HETATM   53  H   UNL     1       9.840   2.179   2.223  1.00  0.00           H  
HETATM   54  H   UNL     1      10.922   2.288   0.814  1.00  0.00           H  
HETATM   55  H   UNL     1       6.984   0.792  -0.846  1.00  0.00           H  
HETATM   56  H   UNL     1       5.143   1.568   1.285  1.00  0.00           H  
HETATM   57  H   UNL     1       4.248   1.762  -2.304  1.00  0.00           H  
HETATM   58  H   UNL     1       4.459   3.523  -2.458  1.00  0.00           H  
HETATM   59  H   UNL     1       5.881   2.469  -2.268  1.00  0.00           H  
HETATM   60  H   UNL     1       3.201   2.983   1.026  1.00  0.00           H  
HETATM   61  H   UNL     1       2.930   3.925  -0.460  1.00  0.00           H  
HETATM   62  H   UNL     1       2.675   2.164  -0.464  1.00  0.00           H  
HETATM   63  H   UNL     1       6.616   3.816  -0.296  1.00  0.00           H  
HETATM   64  H   UNL     1       5.194   4.870  -0.486  1.00  0.00           H  
HETATM   65  H   UNL     1       5.506   4.069   1.072  1.00  0.00           H  
HETATM   66  H   UNL     1       2.962   0.492   0.944  1.00  0.00           H  
HETATM   67  H   UNL     1       2.846  -1.450  -1.234  1.00  0.00           H  
HETATM   68  H   UNL     1       3.188  -2.289   1.679  1.00  0.00           H  
HETATM   69  H   UNL     1       2.709  -3.386   0.362  1.00  0.00           H  
HETATM   70  H   UNL     1       5.434  -1.373   1.778  1.00  0.00           H  
HETATM   71  H   UNL     1       7.801  -1.676   1.170  1.00  0.00           H  
HETATM   72  H   UNL     1       8.410  -3.142  -0.713  1.00  0.00           H  
HETATM   73  H   UNL     1       6.653  -4.305  -1.986  1.00  0.00           H  
HETATM   74  H   UNL     1       4.286  -4.005  -1.375  1.00  0.00           H  
HETATM   75  H   UNL     1       0.690  -2.103  -0.198  1.00  0.00           H  
HETATM   76  H   UNL     1       1.437  -0.166   1.751  1.00  0.00           H  
HETATM   77  H   UNL     1       0.907   0.930  -0.176  1.00  0.00           H  
HETATM   78  H   UNL     1       0.990  -0.015  -1.682  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.571  -1.409  -2.206  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.165  -0.456   0.096  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.387  -0.589   1.700  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.922  -2.134   2.453  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.558  -1.834   0.736  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.576  -2.527   2.028  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.226  -2.620   3.184  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.736  -1.043   2.536  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.690  -3.864   0.057  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.155  -4.279   1.724  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.400  -4.150   0.458  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.712  -2.685  -0.984  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.828  -1.294   1.818  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.963  -0.096   0.509  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.882  -1.617   0.420  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.764   1.972  -1.035  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.249   0.987  -2.436  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.359   2.558   0.683  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.723   2.915   1.261  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.518   0.141  -2.635  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.888   0.483  -2.069  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.514   2.132  -2.072  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.897   2.484  -1.465  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.529   2.471   0.938  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.793   2.112   2.644  1.00  0.00           H  
CONECT    1    2   52   53   54                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   55                                            
CONECT    6    5    7   11   56                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   57   58   59                                       
CONECT    9    7   60   61   62                                       
CONECT   10    7   63   64   65                                       
CONECT   11    6   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   66                                            
CONECT   14   13   15   22   67                                       
CONECT   15   14   16   68   69                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   70                                       
CONECT   18   17   19   19   71                                       
CONECT   19   18   18   20   72                                       
CONECT   20   19   21   21   73                                       
CONECT   21   16   20   20   74                                       
CONECT   22   14   23   24   75                                       
CONECT   23   22   76                                                 
CONECT   24   22   25   77   78                                       
CONECT   25   24   26   39                                            
CONECT   26   25   27   79                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   34   80                                       
CONECT   30   29   31   32   33                                       
CONECT   31   30   81   82   83                                       
CONECT   32   30   84   85   86                                       
CONECT   33   30   87   88   89                                       
CONECT   34   29   35   90                                            
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38                                                 
CONECT   38   37   91   92   93                                       
CONECT   39   25   40   94   95                                       
CONECT   40   39   41   43   43                                       
CONECT   41   40   42   42   96                                       
CONECT   42   41   41   45   97                                       
CONECT   43   40   40   44   98                                       
CONECT   44   43   45   45   99                                       
CONECT   45   42   44   44   46                                       
CONECT   46   45   47   51   51                                       
CONECT   47   46   48   48  100                                       
CONECT   48   47   47   49  101                                       
CONECT   49   48   50   50  102                                       
CONECT   50   49   49   51  103                                       
CONECT   51   46   46   50                                            
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
