COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.116   1.441  -2.037  1.00  0.00           N  
HETATM    2  C   UNL     1      10.289   0.959  -0.831  1.00  0.00           C  
HETATM    3  C   UNL     1      11.696   0.866  -0.642  1.00  0.00           C  
HETATM    4  C   UNL     1      12.212   1.321  -1.806  1.00  0.00           C  
HETATM    5  O   UNL     1      11.173   1.645  -2.588  1.00  0.00           O  
HETATM    6  C   UNL     1       9.232   0.588   0.141  1.00  0.00           C  
HETATM    7  O   UNL     1       9.537   0.150   1.232  1.00  0.00           O  
HETATM    8  N   UNL     1       7.933   0.735  -0.187  1.00  0.00           N  
HETATM    9  C   UNL     1       6.889   0.368   0.773  1.00  0.00           C  
HETATM   10  C   UNL     1       6.632   1.542   1.720  1.00  0.00           C  
HETATM   11  C   UNL     1       5.620   0.033   0.032  1.00  0.00           C  
HETATM   12  O   UNL     1       5.591   0.095  -1.179  1.00  0.00           O  
HETATM   13  N   UNL     1       4.518  -0.335   0.714  1.00  0.00           N  
HETATM   14  C   UNL     1       3.285  -0.661  -0.006  1.00  0.00           C  
HETATM   15  C   UNL     1       3.323  -2.125  -0.446  1.00  0.00           C  
HETATM   16  C   UNL     1       4.448  -2.323  -1.464  1.00  0.00           C  
HETATM   17  C   UNL     1       3.575  -3.017   0.771  1.00  0.00           C  
HETATM   18  C   UNL     1       2.101  -0.439   0.899  1.00  0.00           C  
HETATM   19  O   UNL     1       2.261  -0.356   2.099  1.00  0.00           O  
HETATM   20  N   UNL     1       0.863  -0.332   0.376  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.296  -0.192   1.260  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.483   1.281   1.627  1.00  0.00           C  
HETATM   23  C   UNL     1       0.714   1.758   2.451  1.00  0.00           C  
HETATM   24  C   UNL     1       0.589   3.261   2.711  1.00  0.00           C  
HETATM   25  C   UNL     1       0.745   1.010   3.785  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.901  -1.253   0.539  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.146  -0.591   1.071  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.966   0.050   0.241  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.180   0.695   0.761  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.435   0.644   1.948  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.010   1.344  -0.080  1.00  0.00           O  
HETATM   32  C   UNL     1      -9.190   1.958   0.502  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.993   2.632  -0.581  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.951  -2.751   0.841  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.098  -3.392   0.056  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.270  -4.874   0.463  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.648  -5.529  -0.884  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.076  -4.657  -1.917  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.763  -3.449  -1.418  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.283  -2.536  -2.057  1.00  0.00           O  
HETATM   41  C   UNL     1     -10.974   1.928  -1.253  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.710   2.547  -2.247  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.464   3.869  -2.568  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.483   4.573  -1.894  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.751   3.955  -0.898  1.00  0.00           C  
HETATM   46  C   UNL     1      13.673   1.442  -2.157  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.530  -0.695   0.555  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.448  -1.128  -0.575  1.00  0.00           O  
HETATM   49  N   UNL     1      -2.723  -0.664   1.180  1.00  0.00           N  
HETATM   50  H   UNL     1      12.228   0.513   0.229  1.00  0.00           H  
HETATM   51  H   UNL     1       7.689   1.084  -1.059  1.00  0.00           H  
HETATM   52  H   UNL     1       7.213  -0.499   1.349  1.00  0.00           H  
HETATM   53  H   UNL     1       6.307   2.409   1.144  1.00  0.00           H  
HETATM   54  H   UNL     1       5.855   1.269   2.434  1.00  0.00           H  
HETATM   55  H   UNL     1       7.549   1.784   2.256  1.00  0.00           H  
HETATM   56  H   UNL     1       4.542  -0.384   1.683  1.00  0.00           H  
HETATM   57  H   UNL     1       3.197  -0.020  -0.883  1.00  0.00           H  
HETATM   58  H   UNL     1       2.369  -2.393  -0.901  1.00  0.00           H  
HETATM   59  H   UNL     1       5.411  -2.192  -0.972  1.00  0.00           H  
HETATM   60  H   UNL     1       4.387  -3.328  -1.883  1.00  0.00           H  
HETATM   61  H   UNL     1       4.346  -1.590  -2.265  1.00  0.00           H  
HETATM   62  H   UNL     1       2.774  -2.876   1.497  1.00  0.00           H  
HETATM   63  H   UNL     1       3.602  -4.061   0.458  1.00  0.00           H  
HETATM   64  H   UNL     1       4.529  -2.750   1.227  1.00  0.00           H  
HETATM   65  H   UNL     1       0.740  -0.348  -0.586  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.134  -0.774   2.168  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.557   1.876   0.716  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.396   1.398   2.211  1.00  0.00           H  
HETATM   69  H   UNL     1       1.635   1.560   1.902  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.332   3.458   3.260  1.00  0.00           H  
HETATM   71  H   UNL     1       1.442   3.600   3.299  1.00  0.00           H  
HETATM   72  H   UNL     1       0.567   3.793   1.761  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.176   1.208   4.334  1.00  0.00           H  
HETATM   74  H   UNL     1       0.835  -0.060   3.600  1.00  0.00           H  
HETATM   75  H   UNL     1       1.598   1.350   4.373  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.842  -1.101  -0.539  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.373  -0.637   2.126  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.739   0.096  -0.813  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.799   1.191   0.982  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.887   2.697   1.244  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.008  -3.213   0.549  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.114  -2.901   1.909  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.024  -2.842   0.219  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.336  -5.285   0.847  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.073  -4.988   1.191  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.217  -6.527  -0.953  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.732  -5.577  -0.989  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.942  -4.919  -2.842  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.166   0.895  -1.003  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.476   1.997  -2.773  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.039   4.352  -3.344  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.292   5.605  -2.145  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.987   4.506  -0.369  1.00  0.00           H  
HETATM   94  H   UNL     1      14.013   0.516  -2.621  1.00  0.00           H  
HETATM   95  H   UNL     1      13.813   2.270  -2.853  1.00  0.00           H  
HETATM   96  H   UNL     1      14.250   1.628  -1.251  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.802  -0.252   2.055  1.00  0.00           H  
CONECT    1    2    2    5                                            
CONECT    2    1    1    3    6                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5   46                                       
CONECT    5    1    4                                                 
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   51                                            
CONECT    9    8   10   11   52                                       
CONECT   10    9   53   54   55                                       
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   56                                            
CONECT   14   13   15   18   57                                       
CONECT   15   14   16   17   58                                       
CONECT   16   15   59   60   61                                       
CONECT   17   15   62   63   64                                       
CONECT   18   14   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   65                                            
CONECT   21   20   22   47   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   25   69                                       
CONECT   24   23   70   71   72                                       
CONECT   25   23   73   74   75                                       
CONECT   26   27   34   49   76                                       
CONECT   27   26   28   28   77                                       
CONECT   28   27   27   29   78                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32                                                 
CONECT   32   31   33   79   80                                       
CONECT   33   32   41   45   45                                       
CONECT   34   26   35   81   82                                       
CONECT   35   34   36   39   83                                       
CONECT   36   35   37   84   85                                       
CONECT   37   36   38   86   87                                       
CONECT   38   37   39   88                                            
CONECT   39   35   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   33   42   42   89                                       
CONECT   42   41   41   43   90                                       
CONECT   43   42   44   44   91                                       
CONECT   44   43   43   45   92                                       
CONECT   45   33   33   44   93                                       
CONECT   46    4   94   95   96                                       
CONECT   47   21   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   26   47   97                                            
CONECT   50    3                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   49                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
